Go to:
Gentoo Home
Documentation
Forums
Lists
Bugs
Planet
Store
Wiki
Get Gentoo!
Gentoo's Bugzilla – Attachment 756358 Details for
Bug 827334
sci-libs/libxc-5.1.6: fails tests
Home
|
New
–
[Ex]
|
Browse
|
Search
|
Privacy Policy
|
[?]
|
Reports
|
Requests
|
Help
|
New Account
|
Log In
[x]
|
Forgot Password
Login:
[x]
test-suite.log
file_827334.txt (text/plain), 648.02 KB, created by
Sam James
on 2021-11-26 01:28:41 UTC
(
hide
)
Description:
test-suite.log
Filename:
MIME Type:
Creator:
Sam James
Created:
2021-11-26 01:28:41 UTC
Size:
648.02 KB
patch
obsolete
>=========================================== > libxc 5.1.6: testsuite/test-suite.log >=========================================== > ># TOTAL: 1 ># PASS: 0 ># SKIP: 0 ># XFAIL: 0 ># FAIL: 1 ># XPASS: 0 ># ERROR: 0 > >.. contents:: :depth: 2 > >FAIL: xc-run_testsuite >====================== > >Comparing against reference data >Using /tmp/libxc.fl8vG6HIy0 as working directory >========================================================================= > Functional System NSpin Quantity Result >========================================================================= > * gga_c_acgga BrOH+ 2 exc OK > * gga_c_acgga BrOH+ 2 vxc OK > * gga_c_acgga BrOH+ 1 exc OK > * gga_c_acgga BrOH+ 1 vxc OK > * gga_c_acgga BrOH 2 exc OK > * gga_c_acgga BrOH 2 vxc OK > * gga_c_acgga BrOH 1 exc OK > * gga_c_acgga BrOH 1 vxc OK > * gga_c_acgga H 2 exc OK > * gga_c_acgga H 2 vxc >3 1 3.3746216257e+02 3.3759660634e+02 3.970618e-04 > FAIL > * gga_c_acgga H 1 exc OK > * gga_c_acgga H 1 vxc OK > * gga_c_acgga Li 2 exc OK > * gga_c_acgga Li 2 vxc OK > * gga_c_acgga Li 1 exc OK > * gga_c_acgga Li 1 vxc OK > * gga_c_acggap BrOH+ 2 exc OK > * gga_c_acggap BrOH+ 2 vxc OK > * gga_c_acggap BrOH+ 1 exc OK > * gga_c_acggap BrOH+ 1 vxc OK > * gga_c_acggap BrOH 2 exc OK > * gga_c_acggap BrOH 2 vxc OK > * gga_c_acggap BrOH 1 exc OK > * gga_c_acggap BrOH 1 vxc OK > * gga_c_acggap H 2 exc OK > * gga_c_acggap H 2 vxc >3 1 3.2810205534e+02 3.2823277305e+02 3.970374e-04 > FAIL > * gga_c_acggap H 1 exc OK > * gga_c_acggap H 1 vxc OK > * gga_c_acggap Li 2 exc OK > * gga_c_acggap Li 2 vxc OK > * gga_c_acggap Li 1 exc OK > * gga_c_acggap Li 1 vxc OK > * gga_c_am05 BrOH+ 2 exc OK > * gga_c_am05 BrOH+ 2 vxc OK > * gga_c_am05 BrOH+ 2 fxc OK > * gga_c_am05 BrOH+ 1 exc OK > * gga_c_am05 BrOH+ 1 vxc OK > * gga_c_am05 BrOH+ 1 fxc OK > * gga_c_am05 BrOH 2 exc OK > * gga_c_am05 BrOH 2 vxc OK > * gga_c_am05 BrOH 2 fxc OK > * gga_c_am05 BrOH 1 exc OK > * gga_c_am05 BrOH 1 vxc OK > * gga_c_am05 BrOH 1 fxc OK > * gga_c_am05 H 2 exc OK > * gga_c_am05 H 1 exc OK > * gga_c_am05 H 1 vxc OK > * gga_c_am05 H 1 fxc OK > * gga_c_am05 Li 2 exc OK > * gga_c_am05 Li 2 vxc OK > * gga_c_am05 Li 1 exc OK > * gga_c_am05 Li 1 vxc OK > * gga_c_apbe BrOH+ 2 exc OK > * gga_c_apbe BrOH+ 2 vxc OK > * gga_c_apbe BrOH+ 1 exc OK > * gga_c_apbe BrOH+ 1 vxc OK > * gga_c_apbe BrOH 2 exc OK > * gga_c_apbe BrOH 2 vxc OK > * gga_c_apbe BrOH 1 exc OK > * gga_c_apbe BrOH 1 vxc OK > * gga_c_apbe H 2 exc OK > * gga_c_apbe H 2 vxc OK > * gga_c_apbe H 1 exc OK > * gga_c_apbe H 1 vxc OK > * gga_c_apbe Li 2 exc OK > * gga_c_apbe Li 2 vxc OK > * gga_c_apbe Li 1 exc OK > * gga_c_apbe Li 1 vxc OK > * gga_c_bmk BrOH+ 2 exc OK > * gga_c_bmk BrOH+ 2 vxc OK > * gga_c_bmk BrOH+ 1 exc OK > * gga_c_bmk BrOH+ 1 vxc OK > * gga_c_bmk BrOH 2 exc OK > * gga_c_bmk BrOH 2 vxc OK > * gga_c_bmk BrOH 1 exc OK > * gga_c_bmk BrOH 1 vxc OK > * gga_c_bmk H 2 exc OK > * gga_c_bmk H 1 exc OK > * gga_c_bmk H 1 vxc OK > * gga_c_bmk Li 2 exc OK > * gga_c_bmk Li 2 vxc OK > * gga_c_bmk Li 1 exc OK > * gga_c_bmk Li 1 vxc OK > * gga_c_ccdf BrOH+ 2 exc OK > * gga_c_ccdf BrOH+ 2 vxc OK > * gga_c_ccdf BrOH+ 1 exc OK > * gga_c_ccdf BrOH+ 1 vxc OK > * gga_c_ccdf BrOH 2 exc OK > * gga_c_ccdf BrOH 2 vxc OK > * gga_c_ccdf BrOH 1 exc OK > * gga_c_ccdf BrOH 1 vxc OK > * gga_c_ccdf H 2 exc OK > * gga_c_ccdf H 2 vxc OK > * gga_c_ccdf H 1 exc OK > * gga_c_ccdf H 1 vxc OK > * gga_c_ccdf Li 2 exc OK > * gga_c_ccdf Li 2 vxc OK > * gga_c_ccdf Li 1 exc OK > * gga_c_ccdf Li 1 vxc OK > * gga_c_chachiyo BrOH+ 2 exc OK > * gga_c_chachiyo BrOH+ 2 vxc OK > * gga_c_chachiyo BrOH+ 1 exc OK > * gga_c_chachiyo BrOH+ 1 vxc OK > * gga_c_chachiyo BrOH 2 exc OK > * gga_c_chachiyo BrOH 2 vxc OK > * gga_c_chachiyo BrOH 1 exc OK > * gga_c_chachiyo BrOH 1 vxc OK > * gga_c_chachiyo H 2 exc OK > * gga_c_chachiyo H 2 vxc >3 1 -1.2273542519e+03 -1.2278428502e+03 3.976084e-04 > FAIL > * gga_c_chachiyo H 1 exc OK > * gga_c_chachiyo H 1 vxc OK > * gga_c_chachiyo Li 2 exc OK > * gga_c_chachiyo Li 2 vxc OK > * gga_c_chachiyo Li 1 exc OK > * gga_c_chachiyo Li 1 vxc OK > * gga_c_cs1 BrOH+ 2 exc OK > * gga_c_cs1 BrOH+ 2 vxc OK > * gga_c_cs1 BrOH+ 1 exc OK > * gga_c_cs1 BrOH+ 1 vxc OK > * gga_c_cs1 BrOH 2 exc OK > * gga_c_cs1 BrOH 2 vxc OK > * gga_c_cs1 BrOH 1 exc OK > * gga_c_cs1 BrOH 1 vxc OK > * gga_c_cs1 H 2 exc OK > * gga_c_cs1 H 1 exc OK > * gga_c_cs1 H 1 vxc OK > * gga_c_cs1 Li 2 exc OK > * gga_c_cs1 Li 2 vxc OK > * gga_c_cs1 Li 1 exc OK > * gga_c_cs1 Li 1 vxc OK > * gga_c_ft97 BrOH+ 2 exc OK > * gga_c_ft97 BrOH+ 2 vxc OK > * gga_c_ft97 BrOH+ 1 exc OK > * gga_c_ft97 BrOH+ 1 vxc OK > * gga_c_ft97 BrOH 2 exc OK > * gga_c_ft97 BrOH 2 vxc OK > * gga_c_ft97 BrOH 1 exc OK > * gga_c_ft97 BrOH 1 vxc OK > * gga_c_ft97 H 1 exc OK > * gga_c_ft97 H 1 vxc OK > * gga_c_ft97 Li 2 exc OK > * gga_c_ft97 Li 2 vxc OK > * gga_c_ft97 Li 1 exc OK > * gga_c_ft97 Li 1 vxc OK > * gga_c_gam BrOH+ 2 exc OK > * gga_c_gam BrOH+ 2 vxc OK > * gga_c_gam BrOH+ 1 exc OK > * gga_c_gam BrOH+ 1 vxc OK > * gga_c_gam BrOH 2 exc OK > * gga_c_gam BrOH 2 vxc OK > * gga_c_gam BrOH 1 exc OK > * gga_c_gam BrOH 1 vxc OK > * gga_c_gam H 2 exc OK > * gga_c_gam H 1 exc OK > * gga_c_gam H 1 vxc OK > * gga_c_gam Li 2 exc OK > * gga_c_gam Li 2 vxc OK > * gga_c_gam Li 1 exc OK > * gga_c_gam Li 1 vxc OK > * gga_c_gapc BrOH+ 2 exc OK > * gga_c_gapc BrOH+ 2 vxc OK > * gga_c_gapc BrOH+ 1 exc OK > * gga_c_gapc BrOH+ 1 vxc OK > * gga_c_gapc BrOH 2 exc OK > * gga_c_gapc BrOH 2 vxc OK > * gga_c_gapc BrOH 1 exc OK > * gga_c_gapc BrOH 1 vxc OK > * gga_c_gapc H 2 exc OK > * gga_c_gapc H 2 vxc OK > * gga_c_gapc H 1 exc OK > * gga_c_gapc H 1 vxc OK > * gga_c_gapc Li 2 exc OK > * gga_c_gapc Li 1 exc OK > * gga_c_gaploc BrOH+ 2 exc OK > * gga_c_gaploc BrOH+ 2 vxc OK > * gga_c_gaploc BrOH+ 1 exc OK > * gga_c_gaploc BrOH+ 1 vxc OK > * gga_c_gaploc BrOH 2 exc OK > * gga_c_gaploc BrOH 2 vxc OK > * gga_c_gaploc BrOH 1 exc OK > * gga_c_gaploc BrOH 1 vxc OK > * gga_c_gaploc H 2 exc OK > * gga_c_gaploc H 2 vxc OK > * gga_c_gaploc H 1 exc OK > * gga_c_gaploc H 1 vxc OK > * gga_c_gaploc Li 2 exc OK > * gga_c_gaploc Li 2 vxc OK > * gga_c_gaploc Li 1 exc OK > * gga_c_gaploc Li 1 vxc OK > * gga_c_hcth_a BrOH+ 2 exc OK > * gga_c_hcth_a BrOH+ 2 vxc OK > * gga_c_hcth_a BrOH+ 1 exc OK > * gga_c_hcth_a BrOH+ 1 vxc OK > * gga_c_hcth_a BrOH 2 exc OK > * gga_c_hcth_a BrOH 2 vxc OK > * gga_c_hcth_a BrOH 1 exc OK > * gga_c_hcth_a BrOH 1 vxc OK > * gga_c_hcth_a H 2 exc OK > * gga_c_hcth_a H 1 exc OK > * gga_c_hcth_a H 1 vxc OK > * gga_c_hcth_a Li 2 exc OK > * gga_c_hcth_a Li 2 vxc OK > * gga_c_hcth_a Li 1 exc OK > * gga_c_hcth_a Li 1 vxc OK > * gga_c_hyb_tau_hcth BrOH+ 2 exc OK > * gga_c_hyb_tau_hcth BrOH+ 2 vxc OK > * gga_c_hyb_tau_hcth BrOH+ 1 exc OK > * gga_c_hyb_tau_hcth BrOH+ 1 vxc OK > * gga_c_hyb_tau_hcth BrOH 2 exc OK > * gga_c_hyb_tau_hcth BrOH 2 vxc OK > * gga_c_hyb_tau_hcth BrOH 1 exc OK > * gga_c_hyb_tau_hcth BrOH 1 vxc OK > * gga_c_hyb_tau_hcth H 2 exc OK > * gga_c_hyb_tau_hcth H 1 exc OK > * gga_c_hyb_tau_hcth H 1 vxc OK > * gga_c_hyb_tau_hcth Li 2 exc OK > * gga_c_hyb_tau_hcth Li 2 vxc OK > * gga_c_hyb_tau_hcth Li 1 exc OK > * gga_c_hyb_tau_hcth Li 1 vxc OK > * gga_c_lm BrOH+ 2 exc OK > * gga_c_lm BrOH+ 2 vxc OK > * gga_c_lm BrOH+ 1 exc OK > * gga_c_lm BrOH+ 1 vxc OK > * gga_c_lm BrOH 2 exc OK > * gga_c_lm BrOH 2 vxc OK > * gga_c_lm BrOH 1 exc OK > * gga_c_lm BrOH 1 vxc OK > * gga_c_lm H 2 exc OK > * gga_c_lm H 2 vxc OK > * gga_c_lm H 1 exc OK > * gga_c_lm H 1 vxc OK > * gga_c_lm Li 2 exc OK > * gga_c_lm Li 2 vxc OK > * gga_c_lm Li 1 exc OK > * gga_c_lm Li 1 vxc OK > * gga_c_lyp BrOH+ 2 exc OK > * gga_c_lyp BrOH+ 2 vxc OK > * gga_c_lyp BrOH+ 1 exc OK > * gga_c_lyp BrOH+ 1 vxc OK > * gga_c_lyp BrOH 2 exc OK > * gga_c_lyp BrOH 2 vxc OK > * gga_c_lyp BrOH 1 exc OK > * gga_c_lyp BrOH 1 vxc OK > * gga_c_lyp H 1 exc OK > * gga_c_lyp H 1 vxc OK > * gga_c_lyp Li 2 exc OK > * gga_c_lyp Li 2 vxc OK > * gga_c_lyp Li 1 exc OK > * gga_c_lyp Li 1 vxc OK > * gga_c_lypr BrOH+ 2 exc OK > * gga_c_lypr BrOH+ 2 vxc OK > * gga_c_lypr BrOH+ 1 exc OK > * gga_c_lypr BrOH+ 1 vxc OK > * gga_c_lypr BrOH 2 exc OK > * gga_c_lypr BrOH 2 vxc OK > * gga_c_lypr BrOH 1 exc OK > * gga_c_lypr BrOH 1 vxc OK > * gga_c_lypr H 2 exc OK > * gga_c_lypr H 2 vxc OK > * gga_c_lypr H 1 exc OK > * gga_c_lypr H 1 vxc OK > * gga_c_lypr Li 2 exc OK > * gga_c_lypr Li 2 vxc OK > * gga_c_lypr Li 1 exc OK > * gga_c_lypr Li 1 vxc OK > * gga_c_mggac BrOH+ 2 exc OK > * gga_c_mggac BrOH+ 2 vxc OK > * gga_c_mggac BrOH+ 1 exc OK > * gga_c_mggac BrOH+ 1 vxc OK > * gga_c_mggac BrOH 2 exc OK > * gga_c_mggac BrOH 2 vxc OK > * gga_c_mggac BrOH 1 exc OK > * gga_c_mggac BrOH 1 vxc OK > * gga_c_mggac H 2 exc OK > * gga_c_mggac H 2 vxc OK > * gga_c_mggac H 1 exc OK > * gga_c_mggac H 1 vxc OK > * gga_c_mggac Li 2 exc OK > * gga_c_mggac Li 2 vxc OK > * gga_c_mggac Li 1 exc OK > * gga_c_mggac Li 1 vxc OK > * gga_c_n12 BrOH+ 2 exc OK > * gga_c_n12 BrOH+ 2 vxc OK > * gga_c_n12 BrOH+ 1 exc OK > * gga_c_n12 BrOH+ 1 vxc OK > * gga_c_n12 BrOH 2 exc OK > * gga_c_n12 BrOH 2 vxc OK > * gga_c_n12 BrOH 1 exc OK > * gga_c_n12 BrOH 1 vxc OK > * gga_c_n12 H 2 exc OK > * gga_c_n12 H 1 exc OK > * gga_c_n12 H 1 vxc OK > * gga_c_n12 Li 2 exc OK > * gga_c_n12 Li 2 vxc OK > * gga_c_n12 Li 1 exc OK > * gga_c_n12 Li 1 vxc OK > * gga_c_n12_sx BrOH+ 2 exc OK > * gga_c_n12_sx BrOH+ 2 vxc OK > * gga_c_n12_sx BrOH+ 1 exc OK > * gga_c_n12_sx BrOH+ 1 vxc OK > * gga_c_n12_sx BrOH 2 exc OK > * gga_c_n12_sx BrOH 2 vxc OK > * gga_c_n12_sx BrOH 1 exc OK > * gga_c_n12_sx BrOH 1 vxc OK > * gga_c_n12_sx H 2 exc OK > * gga_c_n12_sx H 1 exc OK > * gga_c_n12_sx H 1 vxc OK > * gga_c_n12_sx Li 2 exc OK > * gga_c_n12_sx Li 2 vxc OK > * gga_c_n12_sx Li 1 exc OK > * gga_c_n12_sx Li 1 vxc OK > * gga_c_op_b88 BrOH+ 2 exc OK > * gga_c_op_b88 BrOH+ 2 vxc OK > * gga_c_op_b88 BrOH+ 1 exc OK > * gga_c_op_b88 BrOH+ 1 vxc OK > * gga_c_op_b88 BrOH 2 exc OK > * gga_c_op_b88 BrOH 2 vxc OK > * gga_c_op_b88 BrOH 1 exc OK > * gga_c_op_b88 BrOH 1 vxc OK > * gga_c_op_b88 H 2 exc >2 0 -1.9919746756e-06 -4.7318823720e-16 1.991971e-06 > >3 0 -1.9923067012e-06 -5.7417040451e-16 1.992303e-06 > >4 0 -1.9928609551e-06 -2.0978395367e-15 1.992857e-06 > >6 0 -1.9940540953e-06 -1.7703550553e-13 1.994050e-06 > FAIL > * gga_c_op_b88 H 2 vxc >2 1 -2.1185412405e+07 -1.4112916349e-02 1.000000e+00 > >2 4 1.1028760502e+29 0.0000000000e+00 1.000000e+00 > >3 1 -1.5267826232e+07 -1.2357627813e-02 9.999999e-01 > >3 4 7.9517269316e+28 0.0000000000e+00 1.000000e+00 > >4 1 -3.0539556851e+06 -9.0215606165e-03 9.999997e-01 > >4 4 1.5915091139e+28 0.0000000000e+00 1.000000e+00 > >6 1 -6.0879514699e+00 -1.5160823041e-06 8.589153e-01 > >6 2 1.1626242738e-03 3.4163739141e-07 1.160933e-03 > >6 4 3.1703976566e+22 0.0000000000e+00 1.000000e+00 > FAIL > * gga_c_op_b88 H 1 exc OK > * gga_c_op_b88 H 1 vxc OK > * gga_c_op_b88 Li 2 exc OK > * gga_c_op_b88 Li 2 vxc OK > * gga_c_op_b88 Li 1 exc OK > * gga_c_op_b88 Li 1 vxc OK > * gga_c_op_g96 BrOH+ 2 exc OK > * gga_c_op_g96 BrOH+ 2 vxc OK > * gga_c_op_g96 BrOH+ 1 exc OK > * gga_c_op_g96 BrOH+ 1 vxc OK > * gga_c_op_g96 BrOH 2 exc OK > * gga_c_op_g96 BrOH 2 vxc OK > * gga_c_op_g96 BrOH 1 exc OK > * gga_c_op_g96 BrOH 1 vxc OK > * gga_c_op_g96 H 2 exc >2 0 -1.9838043169e-06 -4.7316050707e-16 1.983800e-06 > >3 0 -1.9841345666e-06 -5.6914174381e-16 1.984131e-06 > >4 0 -1.9846878226e-06 -2.1148645740e-15 1.984684e-06 > >6 0 -1.9847329979e-06 -1.6251917339e-15 1.984729e-06 > FAIL > * gga_c_op_g96 H 2 vxc >2 1 -2.1580290023e+07 -1.4112089293e-02 1.000000e+00 > >2 4 1.4875834562e+29 0.0000000000e+00 1.000000e+00 > >3 1 -1.5552554632e+07 -1.2249398066e-02 9.999999e-01 > >3 4 1.0725462934e+29 0.0000000000e+00 1.000000e+00 > >4 1 -3.1109543410e+06 -9.0947751801e-03 9.999997e-01 > >4 4 2.1466629379e+28 0.0000000000e+00 1.000000e+00 > >6 1 -6.1948005117e+00 -1.3917685163e-08 8.610107e-01 > >6 2 3.1882270057e-04 6.9563374609e-09 3.187141e-04 > >6 4 4.2750720697e+22 0.0000000000e+00 1.000000e+00 > FAIL > * gga_c_op_g96 H 1 exc OK > * gga_c_op_g96 H 1 vxc OK > * gga_c_op_g96 Li 2 exc OK > * gga_c_op_g96 Li 2 vxc OK > * gga_c_op_g96 Li 1 exc OK > * gga_c_op_g96 Li 1 vxc OK > * gga_c_op_pbe BrOH+ 2 exc OK > * gga_c_op_pbe BrOH+ 2 vxc OK > * gga_c_op_pbe BrOH+ 1 exc OK > * gga_c_op_pbe BrOH+ 1 vxc OK > * gga_c_op_pbe BrOH 2 exc OK > * gga_c_op_pbe BrOH 2 vxc OK > * gga_c_op_pbe BrOH 1 exc OK > * gga_c_op_pbe BrOH 1 vxc OK > * gga_c_op_pbe H 2 exc >2 0 -1.9753166660e-06 -4.6681868347e-16 1.975313e-06 > >3 0 -1.9756465248e-06 -5.7358174936e-16 1.975643e-06 > >4 0 -1.9761966676e-06 -2.1009895001e-15 1.976193e-06 > >6 0 -1.9868062271e-06 -1.4158780288e-11 1.986788e-06 > FAIL > * gga_c_op_pbe H 2 vxc >2 1 -2.0774912470e+07 -1.3922943370e-02 1.000000e+00 > >2 4 9.0514472018e+28 0.0000000000e+00 1.000000e+00 > >3 1 -1.4971922177e+07 -1.2344958436e-02 9.999999e-01 > >3 4 6.5260867328e+28 0.0000000000e+00 1.000000e+00 > >4 1 -2.9947485116e+06 -9.0351067364e-03 9.999997e-01 > >4 4 1.3061726062e+28 0.0000000000e+00 1.000000e+00 > >6 1 -6.0245943719e+00 -1.2125181431e-04 8.576258e-01 > >6 4 2.6081819546e+22 0.0000000000e+00 1.000000e+00 > FAIL > * gga_c_op_pbe H 1 exc OK > * gga_c_op_pbe H 1 vxc OK > * gga_c_op_pbe Li 2 exc OK > * gga_c_op_pbe Li 2 vxc OK > * gga_c_op_pbe Li 1 exc OK > * gga_c_op_pbe Li 1 vxc OK > * gga_c_op_pw91 BrOH+ 2 exc OK > * gga_c_op_pw91 BrOH+ 2 vxc OK > * gga_c_op_pw91 BrOH+ 1 exc OK > * gga_c_op_pw91 BrOH+ 1 vxc OK > * gga_c_op_pw91 BrOH 2 exc OK > * gga_c_op_pw91 BrOH 2 vxc OK > * gga_c_op_pw91 BrOH 1 exc OK > * gga_c_op_pw91 BrOH 1 vxc OK > * gga_c_op_pw91 H 2 exc >3 0 -5.7274857606e-12 -4.2829218445e-05 4.282738e-05 > >6 0 -2.5166105462e-03 -1.9030570951e-03 6.120133e-04 > FAIL > * gga_c_op_pw91 H 2 vxc >3 1 -1.2309007011e-02 -3.2938835161e+04 9.999693e-01 > >3 4 0.0000000000e+00 3.9486100036e+19 1.000000e+00 > >6 0 1.0959809823e-02 9.8163273844e-03 1.131086e-03 > >6 1 -1.9770259908e+00 -1.6316274676e+00 1.160213e-01 > >6 2 -9.6037168681e+03 -8.3513608926e+03 1.303897e-01 > >6 4 1.2068098541e+14 0.0000000000e+00 1.000000e+00 > FAIL > * gga_c_op_pw91 H 1 exc OK > * gga_c_op_pw91 H 1 vxc OK > * gga_c_op_pw91 Li 2 exc >6 0 -3.2829347776e+02 -8.8773526931e-10 9.969632e-01 > FAIL > * gga_c_op_pw91 Li 2 vxc >6 0 -3.2829365839e+02 -1.0010765710e-09 9.969632e-01 > >6 1 4.9399902546e+09 -2.6537480156e-03 1.000000e+00 > >6 2 1.0867370115e+00 1.7406944905e-06 5.207821e-01 > >6 4 -7.8652013515e+18 0.0000000000e+00 1.000000e+00 > FAIL > * gga_c_op_pw91 Li 1 exc OK > * gga_c_op_pw91 Li 1 vxc OK > * gga_c_op_xalpha BrOH+ 2 exc OK > * gga_c_op_xalpha BrOH+ 2 vxc OK > * gga_c_op_xalpha BrOH+ 1 exc OK > * gga_c_op_xalpha BrOH+ 1 vxc OK > * gga_c_op_xalpha BrOH 2 exc OK > * gga_c_op_xalpha BrOH 2 vxc OK > * gga_c_op_xalpha BrOH 1 exc OK > * gga_c_op_xalpha BrOH 1 vxc OK > * gga_c_op_xalpha H 2 exc >2 0 -1.7107789626e-06 -3.7860914905e-16 1.710776e-06 > >3 0 -1.7110688336e-06 -5.1314802395e-16 1.711066e-06 > >4 0 -1.7115603246e-06 -2.2294766670e-15 1.711557e-06 > >6 0 -1.7281782895e-06 -4.0113050051e-11 1.728135e-06 > FAIL > * gga_c_op_xalpha H 2 vxc >2 1 -1.7022278269e+07 -1.1292079620e-02 9.999999e-01 > >3 1 -1.2267242945e+07 -1.1044268815e-02 9.999999e-01 > >4 1 -2.4537045683e+06 -9.5876536519e-03 9.999996e-01 > >6 1 -4.9807463558e+00 -3.4351688474e-04 8.327394e-01 > FAIL > * gga_c_op_xalpha H 1 exc OK > * gga_c_op_xalpha H 1 vxc OK > * gga_c_op_xalpha Li 2 exc OK > * gga_c_op_xalpha Li 2 vxc OK > * gga_c_op_xalpha Li 1 exc OK > * gga_c_op_xalpha Li 1 vxc OK > * gga_c_optc BrOH+ 2 exc OK > * gga_c_optc BrOH+ 2 vxc OK > * gga_c_optc BrOH+ 1 exc OK > * gga_c_optc BrOH+ 1 vxc OK > * gga_c_optc BrOH 2 exc OK > * gga_c_optc BrOH 2 vxc OK > * gga_c_optc BrOH 1 exc OK > * gga_c_optc BrOH 1 vxc OK > * gga_c_optc H 2 exc OK > * gga_c_optc H 2 vxc OK > * gga_c_optc H 1 exc OK > * gga_c_optc H 1 vxc OK > * gga_c_optc Li 2 exc OK > * gga_c_optc Li 2 vxc OK > * gga_c_optc Li 1 exc OK > * gga_c_optc Li 1 vxc OK > * gga_c_p86 BrOH+ 2 exc OK > * gga_c_p86 BrOH+ 2 vxc OK > * gga_c_p86 BrOH+ 1 exc OK > * gga_c_p86 BrOH+ 1 vxc OK > * gga_c_p86 BrOH 2 exc OK > * gga_c_p86 BrOH 2 vxc OK > * gga_c_p86 BrOH 1 exc OK > * gga_c_p86 BrOH 1 vxc OK > * gga_c_p86 H 2 exc OK > * gga_c_p86 H 2 vxc OK > * gga_c_p86 H 1 exc OK > * gga_c_p86 H 1 vxc OK > * gga_c_p86 Li 2 exc OK > * gga_c_p86 Li 2 vxc OK > * gga_c_p86 Li 1 exc OK > * gga_c_p86 Li 1 vxc OK > * gga_c_p86_ft BrOH+ 2 exc OK > * gga_c_p86_ft BrOH+ 2 vxc OK > * gga_c_p86_ft BrOH+ 1 exc OK > * gga_c_p86_ft BrOH+ 1 vxc OK > * gga_c_p86_ft BrOH 2 exc OK > * gga_c_p86_ft BrOH 2 vxc OK > * gga_c_p86_ft BrOH 1 exc OK > * gga_c_p86_ft BrOH 1 vxc OK > * gga_c_p86_ft H 2 exc OK > * gga_c_p86_ft H 2 vxc OK > * gga_c_p86_ft H 1 exc OK > * gga_c_p86_ft H 1 vxc OK > * gga_c_p86_ft Li 2 exc OK > * gga_c_p86_ft Li 2 vxc OK > * gga_c_p86_ft Li 1 exc OK > * gga_c_p86_ft Li 1 vxc OK > * gga_c_p86vwn BrOH+ 2 exc OK > * gga_c_p86vwn BrOH+ 2 vxc OK > * gga_c_p86vwn BrOH+ 1 exc OK > * gga_c_p86vwn BrOH+ 1 vxc OK > * gga_c_p86vwn BrOH 2 exc OK > * gga_c_p86vwn BrOH 2 vxc OK > * gga_c_p86vwn BrOH 1 exc OK > * gga_c_p86vwn BrOH 1 vxc OK > * gga_c_p86vwn H 2 exc OK > * gga_c_p86vwn H 2 vxc OK > * gga_c_p86vwn H 1 exc OK > * gga_c_p86vwn H 1 vxc OK > * gga_c_p86vwn Li 2 exc OK > * gga_c_p86vwn Li 2 vxc OK > * gga_c_p86vwn Li 1 exc OK > * gga_c_p86vwn Li 1 vxc OK > * gga_c_p86vwn_ft BrOH+ 2 exc OK > * gga_c_p86vwn_ft BrOH+ 2 vxc OK > * gga_c_p86vwn_ft BrOH+ 1 exc OK > * gga_c_p86vwn_ft BrOH+ 1 vxc OK > * gga_c_p86vwn_ft BrOH 2 exc OK > * gga_c_p86vwn_ft BrOH 2 vxc OK > * gga_c_p86vwn_ft BrOH 1 exc OK > * gga_c_p86vwn_ft BrOH 1 vxc OK > * gga_c_p86vwn_ft H 2 exc OK > * gga_c_p86vwn_ft H 2 vxc OK > * gga_c_p86vwn_ft H 1 exc OK > * gga_c_p86vwn_ft H 1 vxc OK > * gga_c_p86vwn_ft Li 2 exc OK > * gga_c_p86vwn_ft Li 2 vxc OK > * gga_c_p86vwn_ft Li 1 exc OK > * gga_c_p86vwn_ft Li 1 vxc OK > * gga_c_pbe BrOH+ 2 exc OK > * gga_c_pbe BrOH+ 2 vxc OK > * gga_c_pbe BrOH+ 1 exc OK > * gga_c_pbe BrOH+ 1 vxc OK > * gga_c_pbe BrOH 2 exc OK > * gga_c_pbe BrOH 2 vxc OK > * gga_c_pbe BrOH 1 exc OK > * gga_c_pbe BrOH 1 vxc OK > * gga_c_pbe H 2 exc OK > * gga_c_pbe H 2 vxc OK > * gga_c_pbe H 1 exc OK > * gga_c_pbe H 1 vxc OK > * gga_c_pbe Li 2 exc OK > * gga_c_pbe Li 2 vxc OK > * gga_c_pbe Li 1 exc OK > * gga_c_pbe Li 1 vxc OK > * gga_c_pbe_jrgx BrOH+ 2 exc OK > * gga_c_pbe_jrgx BrOH+ 2 vxc OK > * gga_c_pbe_jrgx BrOH+ 1 exc OK > * gga_c_pbe_jrgx BrOH+ 1 vxc OK > * gga_c_pbe_jrgx BrOH 2 exc OK > * gga_c_pbe_jrgx BrOH 2 vxc OK > * gga_c_pbe_jrgx BrOH 1 exc OK > * gga_c_pbe_jrgx BrOH 1 vxc OK > * gga_c_pbe_jrgx H 2 exc OK > * gga_c_pbe_jrgx H 2 vxc OK > * gga_c_pbe_jrgx H 1 exc OK > * gga_c_pbe_jrgx H 1 vxc OK > * gga_c_pbe_jrgx Li 2 exc OK > * gga_c_pbe_jrgx Li 2 vxc OK > * gga_c_pbe_jrgx Li 1 exc OK > * gga_c_pbe_jrgx Li 1 vxc OK > * gga_c_pbe_mol BrOH+ 2 exc OK > * gga_c_pbe_mol BrOH+ 2 vxc OK > * gga_c_pbe_mol BrOH+ 1 exc OK > * gga_c_pbe_mol BrOH+ 1 vxc OK > * gga_c_pbe_mol BrOH 2 exc OK > * gga_c_pbe_mol BrOH 2 vxc OK > * gga_c_pbe_mol BrOH 1 exc OK > * gga_c_pbe_mol BrOH 1 vxc OK > * gga_c_pbe_mol H 2 exc OK > * gga_c_pbe_mol H 2 vxc OK > * gga_c_pbe_mol H 1 exc OK > * gga_c_pbe_mol H 1 vxc OK > * gga_c_pbe_mol Li 2 exc OK > * gga_c_pbe_mol Li 2 vxc OK > * gga_c_pbe_mol Li 1 exc OK > * gga_c_pbe_mol Li 1 vxc OK > * gga_c_pbe_sol BrOH+ 2 exc OK > * gga_c_pbe_sol BrOH+ 2 vxc OK > * gga_c_pbe_sol BrOH+ 1 exc OK > * gga_c_pbe_sol BrOH+ 1 vxc OK > * gga_c_pbe_sol BrOH 2 exc OK > * gga_c_pbe_sol BrOH 2 vxc OK > * gga_c_pbe_sol BrOH 1 exc OK > * gga_c_pbe_sol BrOH 1 vxc OK > * gga_c_pbe_sol H 2 exc OK > * gga_c_pbe_sol H 2 vxc OK > * gga_c_pbe_sol H 1 exc OK > * gga_c_pbe_sol H 1 vxc OK > * gga_c_pbe_sol Li 2 exc OK > * gga_c_pbe_sol Li 2 vxc OK > * gga_c_pbe_sol Li 1 exc OK > * gga_c_pbe_sol Li 1 vxc OK > * gga_c_pbe_vwn BrOH+ 2 exc OK > * gga_c_pbe_vwn BrOH+ 2 vxc OK > * gga_c_pbe_vwn BrOH+ 1 exc OK > * gga_c_pbe_vwn BrOH+ 1 vxc OK > * gga_c_pbe_vwn BrOH 2 exc OK > * gga_c_pbe_vwn BrOH 2 vxc OK > * gga_c_pbe_vwn BrOH 1 exc OK > * gga_c_pbe_vwn BrOH 1 vxc OK > * gga_c_pbe_vwn H 2 exc OK > * gga_c_pbe_vwn H 2 vxc OK > * gga_c_pbe_vwn H 1 exc OK > * gga_c_pbe_vwn H 1 vxc OK > * gga_c_pbe_vwn Li 2 exc OK > * gga_c_pbe_vwn Li 2 vxc OK > * gga_c_pbe_vwn Li 1 exc OK > * gga_c_pbe_vwn Li 1 vxc OK > * gga_c_pbefe BrOH+ 2 exc OK > * gga_c_pbefe BrOH+ 2 vxc OK > * gga_c_pbefe BrOH+ 1 exc OK > * gga_c_pbefe BrOH+ 1 vxc OK > * gga_c_pbefe BrOH 2 exc OK > * gga_c_pbefe BrOH 2 vxc OK > * gga_c_pbefe BrOH 1 exc OK > * gga_c_pbefe BrOH 1 vxc OK > * gga_c_pbefe H 2 exc OK > * gga_c_pbefe H 2 vxc OK > * gga_c_pbefe H 1 exc OK > * gga_c_pbefe H 1 vxc OK > * gga_c_pbefe Li 2 exc OK > * gga_c_pbefe Li 2 vxc OK > * gga_c_pbefe Li 1 exc OK > * gga_c_pbefe Li 1 vxc OK > * gga_c_pbeint BrOH+ 2 exc OK > * gga_c_pbeint BrOH+ 2 vxc OK > * gga_c_pbeint BrOH+ 1 exc OK > * gga_c_pbeint BrOH+ 1 vxc OK > * gga_c_pbeint BrOH 2 exc OK > * gga_c_pbeint BrOH 2 vxc OK > * gga_c_pbeint BrOH 1 exc OK > * gga_c_pbeint BrOH 1 vxc OK > * gga_c_pbeint H 2 exc OK > * gga_c_pbeint H 2 vxc OK > * gga_c_pbeint H 1 exc OK > * gga_c_pbeint H 1 vxc OK > * gga_c_pbeint Li 2 exc OK > * gga_c_pbeint Li 2 vxc OK > * gga_c_pbeint Li 1 exc OK > * gga_c_pbeint Li 1 vxc OK > * gga_c_pbeloc BrOH+ 2 exc OK > * gga_c_pbeloc BrOH+ 2 vxc OK > * gga_c_pbeloc BrOH+ 1 exc OK > * gga_c_pbeloc BrOH+ 1 vxc OK > * gga_c_pbeloc BrOH 2 exc OK > * gga_c_pbeloc BrOH 2 vxc OK > * gga_c_pbeloc BrOH 1 exc OK > * gga_c_pbeloc BrOH 1 vxc OK > * gga_c_pbeloc H 2 exc OK > * gga_c_pbeloc H 2 vxc OK > * gga_c_pbeloc H 1 exc OK > * gga_c_pbeloc H 1 vxc OK > * gga_c_pbeloc Li 2 exc OK > * gga_c_pbeloc Li 2 vxc OK > * gga_c_pbeloc Li 1 exc OK > * gga_c_pbeloc Li 1 vxc OK > * gga_c_pw91 BrOH+ 2 exc OK > * gga_c_pw91 BrOH+ 2 vxc OK > * gga_c_pw91 BrOH+ 1 exc OK > * gga_c_pw91 BrOH+ 1 vxc OK > * gga_c_pw91 BrOH 2 exc OK > * gga_c_pw91 BrOH 2 vxc OK > * gga_c_pw91 BrOH 1 exc OK > * gga_c_pw91 BrOH 1 vxc OK > * gga_c_pw91 H 2 exc OK > * gga_c_pw91 H 2 vxc OK > * gga_c_pw91 H 1 exc OK > * gga_c_pw91 H 1 vxc OK > * gga_c_pw91 Li 2 exc OK > * gga_c_pw91 Li 2 vxc OK > * gga_c_pw91 Li 1 exc OK > * gga_c_pw91 Li 1 vxc OK > * gga_c_q2d BrOH+ 2 exc OK > * gga_c_q2d BrOH+ 2 vxc OK > * gga_c_q2d BrOH+ 1 exc OK > * gga_c_q2d BrOH+ 1 vxc OK > * gga_c_q2d BrOH 2 exc OK > * gga_c_q2d BrOH 2 vxc OK > * gga_c_q2d BrOH 1 exc OK > * gga_c_q2d BrOH 1 vxc OK > * gga_c_q2d H 2 exc OK > * gga_c_q2d H 2 vxc OK > * gga_c_q2d H 1 exc OK > * gga_c_q2d H 1 vxc OK > * gga_c_q2d Li 2 exc OK > * gga_c_q2d Li 2 vxc OK > * gga_c_q2d Li 1 exc OK > * gga_c_q2d Li 1 vxc OK > * gga_c_regtpss BrOH+ 2 exc OK > * gga_c_regtpss BrOH+ 2 vxc OK > * gga_c_regtpss BrOH+ 1 exc OK > * gga_c_regtpss BrOH+ 1 vxc OK > * gga_c_regtpss BrOH 2 exc OK > * gga_c_regtpss BrOH 2 vxc OK > * gga_c_regtpss BrOH 1 exc OK > * gga_c_regtpss BrOH 1 vxc OK > * gga_c_regtpss H 2 exc OK > * gga_c_regtpss H 1 exc OK > * gga_c_regtpss H 1 vxc OK > * gga_c_regtpss Li 2 exc OK > * gga_c_regtpss Li 2 vxc OK > * gga_c_regtpss Li 1 exc OK > * gga_c_regtpss Li 1 vxc OK > * gga_c_revtca BrOH+ 2 exc OK > * gga_c_revtca BrOH+ 2 vxc OK > * gga_c_revtca BrOH+ 1 exc OK > * gga_c_revtca BrOH+ 1 vxc OK > * gga_c_revtca BrOH 2 exc OK > * gga_c_revtca BrOH 2 vxc OK > * gga_c_revtca BrOH 1 exc OK > * gga_c_revtca BrOH 1 vxc OK > * gga_c_revtca H 2 exc OK > * gga_c_revtca H 2 vxc >3 1 -1.2363077464e+00 -1.2367383534e+00 1.925156e-04 > FAIL > * gga_c_revtca H 1 exc OK > * gga_c_revtca H 1 vxc OK > * gga_c_revtca Li 2 exc OK > * gga_c_revtca Li 2 vxc OK > * gga_c_revtca Li 1 exc OK > * gga_c_revtca Li 1 vxc OK > * gga_c_rge2 BrOH+ 2 exc OK > * gga_c_rge2 BrOH+ 2 vxc OK > * gga_c_rge2 BrOH+ 1 exc OK > * gga_c_rge2 BrOH+ 1 vxc OK > * gga_c_rge2 BrOH 2 exc OK > * gga_c_rge2 BrOH 2 vxc OK > * gga_c_rge2 BrOH 1 exc OK > * gga_c_rge2 BrOH 1 vxc OK > * gga_c_rge2 H 2 exc OK > * gga_c_rge2 H 2 vxc OK > * gga_c_rge2 H 1 exc OK > * gga_c_rge2 H 1 vxc OK > * gga_c_rge2 Li 2 exc OK > * gga_c_rge2 Li 2 vxc OK > * gga_c_rge2 Li 1 exc OK > * gga_c_rge2 Li 1 vxc OK > * gga_c_scan_e0 BrOH+ 2 exc OK > * gga_c_scan_e0 BrOH+ 2 vxc OK > * gga_c_scan_e0 BrOH+ 1 exc OK > * gga_c_scan_e0 BrOH+ 1 vxc OK > * gga_c_scan_e0 BrOH 2 exc OK > * gga_c_scan_e0 BrOH 2 vxc OK > * gga_c_scan_e0 BrOH 1 exc OK > * gga_c_scan_e0 BrOH 1 vxc OK > * gga_c_scan_e0 H 2 exc OK > * gga_c_scan_e0 H 2 vxc >3 1 7.6634307047e+01 7.6664902190e+01 3.939378e-04 > FAIL > * gga_c_scan_e0 H 1 exc OK > * gga_c_scan_e0 H 1 vxc OK > * gga_c_scan_e0 Li 2 exc OK > * gga_c_scan_e0 Li 2 vxc OK > * gga_c_scan_e0 Li 1 exc OK > * gga_c_scan_e0 Li 1 vxc OK > * gga_c_sg4 BrOH+ 2 exc OK > * gga_c_sg4 BrOH+ 2 vxc OK > * gga_c_sg4 BrOH+ 1 exc OK > * gga_c_sg4 BrOH+ 1 vxc OK > * gga_c_sg4 BrOH 2 exc OK > * gga_c_sg4 BrOH 2 vxc OK > * gga_c_sg4 BrOH 1 exc OK > * gga_c_sg4 BrOH 1 vxc OK > * gga_c_sg4 H 2 exc OK > * gga_c_sg4 H 2 vxc OK > * gga_c_sg4 H 1 exc OK > * gga_c_sg4 H 1 vxc OK > * gga_c_sg4 Li 2 exc OK > * gga_c_sg4 Li 2 vxc OK > * gga_c_sg4 Li 1 exc OK > * gga_c_sg4 Li 1 vxc OK > * gga_c_sogga11 BrOH+ 2 exc OK > * gga_c_sogga11 BrOH+ 2 vxc OK > * gga_c_sogga11 BrOH+ 1 exc OK > * gga_c_sogga11 BrOH+ 1 vxc OK > * gga_c_sogga11 BrOH 2 exc OK > * gga_c_sogga11 BrOH 2 vxc OK > * gga_c_sogga11 BrOH 1 exc OK > * gga_c_sogga11 BrOH 1 vxc OK > * gga_c_sogga11 H 2 exc OK > * gga_c_sogga11 H 2 vxc >3 1 1.5177309594e+02 1.5183361733e+02 3.959953e-04 > FAIL > * gga_c_sogga11 H 1 exc OK > * gga_c_sogga11 H 1 vxc OK > * gga_c_sogga11 Li 2 exc OK > * gga_c_sogga11 Li 2 vxc OK > * gga_c_sogga11 Li 1 exc OK > * gga_c_sogga11 Li 1 vxc OK > * gga_c_sogga11_x BrOH+ 2 exc OK > * gga_c_sogga11_x BrOH+ 2 vxc OK > * gga_c_sogga11_x BrOH+ 1 exc OK > * gga_c_sogga11_x BrOH+ 1 vxc OK > * gga_c_sogga11_x BrOH 2 exc OK > * gga_c_sogga11_x BrOH 2 vxc OK > * gga_c_sogga11_x BrOH 1 exc OK > * gga_c_sogga11_x BrOH 1 vxc OK > * gga_c_sogga11_x H 2 exc OK > * gga_c_sogga11_x H 2 vxc >3 1 -7.2981630001e+01 -7.3010616186e+01 3.916490e-04 > FAIL > * gga_c_sogga11_x H 1 exc OK > * gga_c_sogga11_x H 1 vxc OK > * gga_c_sogga11_x Li 2 exc OK > * gga_c_sogga11_x Li 2 vxc OK > * gga_c_sogga11_x Li 1 exc OK > * gga_c_sogga11_x Li 1 vxc OK > * gga_c_spbe BrOH+ 2 exc OK > * gga_c_spbe BrOH+ 2 vxc OK > * gga_c_spbe BrOH+ 1 exc OK > * gga_c_spbe BrOH+ 1 vxc OK > * gga_c_spbe BrOH 2 exc OK > * gga_c_spbe BrOH 2 vxc OK > * gga_c_spbe BrOH 1 exc OK > * gga_c_spbe BrOH 1 vxc OK > * gga_c_spbe H 2 exc OK > * gga_c_spbe H 2 vxc OK > * gga_c_spbe H 1 exc OK > * gga_c_spbe H 1 vxc OK > * gga_c_spbe Li 2 exc OK > * gga_c_spbe Li 2 vxc OK > * gga_c_spbe Li 1 exc OK > * gga_c_spbe Li 1 vxc OK > * gga_c_tau_hcth BrOH+ 2 exc OK > * gga_c_tau_hcth BrOH+ 2 vxc OK > * gga_c_tau_hcth BrOH+ 1 exc OK > * gga_c_tau_hcth BrOH+ 1 vxc OK > * gga_c_tau_hcth BrOH 2 exc OK > * gga_c_tau_hcth BrOH 2 vxc OK > * gga_c_tau_hcth BrOH 1 exc OK > * gga_c_tau_hcth BrOH 1 vxc OK > * gga_c_tau_hcth H 2 exc OK > * gga_c_tau_hcth H 1 exc OK > * gga_c_tau_hcth H 1 vxc OK > * gga_c_tau_hcth Li 2 exc OK > * gga_c_tau_hcth Li 2 vxc OK > * gga_c_tau_hcth Li 1 exc OK > * gga_c_tau_hcth Li 1 vxc OK > * gga_c_tca BrOH+ 2 exc OK > * gga_c_tca BrOH+ 2 vxc OK > * gga_c_tca BrOH+ 1 exc OK > * gga_c_tca BrOH+ 1 vxc OK > * gga_c_tca BrOH 2 exc OK > * gga_c_tca BrOH 2 vxc OK > * gga_c_tca BrOH 1 exc OK > * gga_c_tca BrOH 1 vxc OK > * gga_c_tca H 2 exc OK > * gga_c_tca H 2 vxc >3 1 -1.0672013381e+03 -1.0676261803e+03 3.975593e-04 > FAIL > * gga_c_tca H 1 exc OK > * gga_c_tca H 1 vxc OK > * gga_c_tca Li 2 exc OK > * gga_c_tca Li 2 vxc OK > * gga_c_tca Li 1 exc OK > * gga_c_tca Li 1 vxc OK > * gga_c_tm_lyp BrOH+ 2 exc OK > * gga_c_tm_lyp BrOH+ 2 vxc OK > * gga_c_tm_lyp BrOH+ 1 exc OK > * gga_c_tm_lyp BrOH+ 1 vxc OK > * gga_c_tm_lyp BrOH 2 exc OK > * gga_c_tm_lyp BrOH 2 vxc OK > * gga_c_tm_lyp BrOH 1 exc OK > * gga_c_tm_lyp BrOH 1 vxc OK > * gga_c_tm_lyp H 1 exc OK > * gga_c_tm_lyp H 1 vxc OK > * gga_c_tm_lyp Li 2 exc OK > * gga_c_tm_lyp Li 2 vxc OK > * gga_c_tm_lyp Li 1 exc OK > * gga_c_tm_lyp Li 1 vxc OK > * gga_c_tm_pbe BrOH+ 2 exc OK > * gga_c_tm_pbe BrOH+ 2 vxc OK > * gga_c_tm_pbe BrOH+ 1 exc OK > * gga_c_tm_pbe BrOH+ 1 vxc OK > * gga_c_tm_pbe BrOH 2 exc OK > * gga_c_tm_pbe BrOH 2 vxc OK > * gga_c_tm_pbe BrOH 1 exc OK > * gga_c_tm_pbe BrOH 1 vxc OK > * gga_c_tm_pbe H 2 exc OK > * gga_c_tm_pbe H 2 vxc OK > * gga_c_tm_pbe H 1 exc OK > * gga_c_tm_pbe H 1 vxc OK > * gga_c_tm_pbe Li 2 exc OK > * gga_c_tm_pbe Li 2 vxc OK > * gga_c_tm_pbe Li 1 exc OK > * gga_c_tm_pbe Li 1 vxc OK > * gga_c_w94 BrOH+ 2 exc OK > * gga_c_w94 BrOH+ 2 vxc OK > * gga_c_w94 BrOH+ 1 exc OK > * gga_c_w94 BrOH+ 1 vxc OK > * gga_c_w94 BrOH 2 exc OK > * gga_c_w94 BrOH 2 vxc OK > * gga_c_w94 BrOH 1 exc OK > * gga_c_w94 BrOH 1 vxc OK > * gga_c_w94 H 2 exc OK > * gga_c_w94 H 2 vxc >2 1 -3.9126470923e+05 -3.9139439475e+05 3.313415e-04 > >3 1 -2.1828129328e+05 -2.1841167485e+05 5.969506e-04 > FAIL > * gga_c_w94 H 1 exc OK > * gga_c_w94 H 1 vxc OK > * gga_c_w94 Li 2 exc OK > * gga_c_w94 Li 2 vxc OK > * gga_c_w94 Li 1 exc OK > * gga_c_w94 Li 1 vxc OK > * gga_c_wi BrOH+ 2 exc OK > * gga_c_wi BrOH+ 2 vxc OK > * gga_c_wi BrOH+ 1 exc OK > * gga_c_wi BrOH+ 1 vxc OK > * gga_c_wi BrOH 2 exc OK > * gga_c_wi BrOH 2 vxc OK > * gga_c_wi BrOH 1 exc OK > * gga_c_wi BrOH 1 vxc OK > * gga_c_wi H 2 exc OK > * gga_c_wi H 2 vxc OK > * gga_c_wi H 1 exc OK > * gga_c_wi H 1 vxc OK > * gga_c_wi Li 2 exc OK > * gga_c_wi Li 2 vxc OK > * gga_c_wi Li 1 exc OK > * gga_c_wi Li 1 vxc OK > * gga_c_wi0 BrOH+ 2 exc OK > * gga_c_wi0 BrOH+ 2 vxc OK > * gga_c_wi0 BrOH+ 1 exc OK > * gga_c_wi0 BrOH+ 1 vxc OK > * gga_c_wi0 BrOH 2 exc OK > * gga_c_wi0 BrOH 2 vxc OK > * gga_c_wi0 BrOH 1 exc OK > * gga_c_wi0 BrOH 1 vxc OK > * gga_c_wi0 H 2 exc OK > * gga_c_wi0 H 2 vxc OK > * gga_c_wi0 H 1 exc OK > * gga_c_wi0 H 1 vxc OK > * gga_c_wi0 Li 2 exc OK > * gga_c_wi0 Li 2 vxc OK > * gga_c_wi0 Li 1 exc OK > * gga_c_wi0 Li 1 vxc OK > * gga_c_wl BrOH+ 2 exc OK > * gga_c_wl BrOH+ 2 vxc OK > * gga_c_wl BrOH+ 1 exc OK > * gga_c_wl BrOH+ 1 vxc OK > * gga_c_wl BrOH 2 exc OK > * gga_c_wl BrOH 2 vxc OK > * gga_c_wl BrOH 1 exc OK > * gga_c_wl BrOH 1 vxc OK > * gga_c_wl H 2 exc OK > * gga_c_wl H 2 vxc OK > * gga_c_wl H 1 exc OK > * gga_c_wl H 1 vxc OK > * gga_c_wl Li 2 exc OK > * gga_c_wl Li 2 vxc OK > * gga_c_wl Li 1 exc OK > * gga_c_wl Li 1 vxc OK > * gga_c_xpbe BrOH+ 2 exc OK > * gga_c_xpbe BrOH+ 2 vxc OK > * gga_c_xpbe BrOH+ 1 exc OK > * gga_c_xpbe BrOH+ 1 vxc OK > * gga_c_xpbe BrOH 2 exc OK > * gga_c_xpbe BrOH 2 vxc OK > * gga_c_xpbe BrOH 1 exc OK > * gga_c_xpbe BrOH 1 vxc OK > * gga_c_xpbe H 2 exc OK > * gga_c_xpbe H 2 vxc OK > * gga_c_xpbe H 1 exc OK > * gga_c_xpbe H 1 vxc OK > * gga_c_xpbe Li 2 exc OK > * gga_c_xpbe Li 2 vxc OK > * gga_c_xpbe Li 1 exc OK > * gga_c_xpbe Li 1 vxc OK > * gga_c_zpbeint BrOH+ 2 exc OK > * gga_c_zpbeint BrOH+ 2 vxc OK > * gga_c_zpbeint BrOH+ 1 exc OK > * gga_c_zpbeint BrOH+ 1 vxc OK > * gga_c_zpbeint BrOH 2 exc OK > * gga_c_zpbeint BrOH 2 vxc OK > * gga_c_zpbeint BrOH 1 exc OK > * gga_c_zpbeint BrOH 1 vxc OK > * gga_c_zpbeint H 2 exc OK > * gga_c_zpbeint H 2 vxc OK > * gga_c_zpbeint H 1 exc OK > * gga_c_zpbeint H 1 vxc OK > * gga_c_zpbeint Li 2 exc OK > * gga_c_zpbeint Li 2 vxc OK > * gga_c_zpbeint Li 1 exc OK > * gga_c_zpbeint Li 1 vxc OK > * gga_c_zpbesol BrOH+ 2 exc OK > * gga_c_zpbesol BrOH+ 2 vxc OK > * gga_c_zpbesol BrOH+ 1 exc OK > * gga_c_zpbesol BrOH+ 1 vxc OK > * gga_c_zpbesol BrOH 2 exc OK > * gga_c_zpbesol BrOH 2 vxc OK > * gga_c_zpbesol BrOH 1 exc OK > * gga_c_zpbesol BrOH 1 vxc OK > * gga_c_zpbesol H 2 exc OK > * gga_c_zpbesol H 2 vxc OK > * gga_c_zpbesol H 1 exc OK > * gga_c_zpbesol H 1 vxc OK > * gga_c_zpbesol Li 2 exc OK > * gga_c_zpbesol Li 2 vxc OK > * gga_c_zpbesol Li 1 exc OK > * gga_c_zpbesol Li 1 vxc OK > * gga_c_zvpbeint BrOH+ 2 exc OK > * gga_c_zvpbeint BrOH+ 2 vxc OK > * gga_c_zvpbeint BrOH+ 1 exc OK > * gga_c_zvpbeint BrOH+ 1 vxc OK > * gga_c_zvpbeint BrOH 2 exc OK > * gga_c_zvpbeint BrOH 2 vxc OK > * gga_c_zvpbeint BrOH 1 exc OK > * gga_c_zvpbeint BrOH 1 vxc OK > * gga_c_zvpbeint H 2 exc OK > * gga_c_zvpbeint H 2 vxc OK > * gga_c_zvpbeint H 1 exc OK > * gga_c_zvpbeint H 1 vxc OK > * gga_c_zvpbeint Li 2 exc OK > * gga_c_zvpbeint Li 2 vxc OK > * gga_c_zvpbeint Li 1 exc OK > * gga_c_zvpbeint Li 1 vxc OK > * gga_c_zvpbeloc BrOH+ 2 exc OK > * gga_c_zvpbeloc BrOH+ 2 vxc OK > * gga_c_zvpbeloc BrOH+ 1 exc OK > * gga_c_zvpbeloc BrOH+ 1 vxc OK > * gga_c_zvpbeloc BrOH 2 exc OK > * gga_c_zvpbeloc BrOH 2 vxc OK > * gga_c_zvpbeloc BrOH 1 exc OK > * gga_c_zvpbeloc BrOH 1 vxc OK > * gga_c_zvpbeloc H 2 exc OK > * gga_c_zvpbeloc H 2 vxc OK > * gga_c_zvpbeloc H 1 exc OK > * gga_c_zvpbeloc H 1 vxc OK > * gga_c_zvpbeloc Li 2 exc OK > * gga_c_zvpbeloc Li 2 vxc OK > * gga_c_zvpbeloc Li 1 exc OK > * gga_c_zvpbeloc Li 1 vxc OK > * gga_c_zvpbesol BrOH+ 2 exc OK > * gga_c_zvpbesol BrOH+ 2 vxc OK > * gga_c_zvpbesol BrOH+ 1 exc OK > * gga_c_zvpbesol BrOH+ 1 vxc OK > * gga_c_zvpbesol BrOH 2 exc OK > * gga_c_zvpbesol BrOH 2 vxc OK > * gga_c_zvpbesol BrOH 1 exc OK > * gga_c_zvpbesol BrOH 1 vxc OK > * gga_c_zvpbesol H 2 exc OK > * gga_c_zvpbesol H 2 vxc OK > * gga_c_zvpbesol H 1 exc OK > * gga_c_zvpbesol H 1 vxc OK > * gga_c_zvpbesol Li 2 exc OK > * gga_c_zvpbesol Li 2 vxc OK > * gga_c_zvpbesol Li 1 exc OK > * gga_c_zvpbesol Li 1 vxc OK > * gga_k_absp1 BrOH+ 2 exc OK > * gga_k_absp1 BrOH+ 2 vxc OK > * gga_k_absp1 BrOH+ 1 exc OK > * gga_k_absp1 BrOH+ 1 vxc OK > * gga_k_absp1 BrOH 2 exc OK > * gga_k_absp1 BrOH 2 vxc OK > * gga_k_absp1 BrOH 1 exc OK > * gga_k_absp1 BrOH 1 vxc OK > * gga_k_absp1 H 2 exc OK > * gga_k_absp1 H 2 vxc OK > * gga_k_absp1 H 1 exc OK > * gga_k_absp1 H 1 vxc OK > * gga_k_absp1 Li 2 exc OK > * gga_k_absp1 Li 2 vxc OK > * gga_k_absp1 Li 1 exc OK > * gga_k_absp1 Li 1 vxc OK > * gga_k_absp2 BrOH+ 2 exc OK > * gga_k_absp2 BrOH+ 2 vxc OK > * gga_k_absp2 BrOH+ 1 exc OK > * gga_k_absp2 BrOH+ 1 vxc OK > * gga_k_absp2 BrOH 2 exc OK > * gga_k_absp2 BrOH 2 vxc OK > * gga_k_absp2 BrOH 1 exc OK > * gga_k_absp2 BrOH 1 vxc OK > * gga_k_absp2 H 2 exc OK > * gga_k_absp2 H 2 vxc OK > * gga_k_absp2 H 1 exc OK > * gga_k_absp2 H 1 vxc OK > * gga_k_absp2 Li 2 exc OK > * gga_k_absp2 Li 2 vxc OK > * gga_k_absp2 Li 1 exc OK > * gga_k_absp2 Li 1 vxc OK > * gga_k_absp3 BrOH+ 2 exc OK > * gga_k_absp3 BrOH+ 2 vxc OK > * gga_k_absp3 BrOH+ 1 exc OK > * gga_k_absp3 BrOH+ 1 vxc OK > * gga_k_absp3 BrOH 2 exc OK > * gga_k_absp3 BrOH 2 vxc OK > * gga_k_absp3 BrOH 1 exc OK > * gga_k_absp3 BrOH 1 vxc OK > * gga_k_absp3 H 2 exc OK > * gga_k_absp3 H 2 vxc OK > * gga_k_absp3 H 1 exc OK > * gga_k_absp3 H 1 vxc OK > * gga_k_absp3 Li 2 exc OK > * gga_k_absp3 Li 2 vxc OK > * gga_k_absp3 Li 1 exc OK > * gga_k_absp3 Li 1 vxc OK > * gga_k_absp4 BrOH+ 2 exc OK > * gga_k_absp4 BrOH+ 2 vxc OK > * gga_k_absp4 BrOH+ 1 exc OK > * gga_k_absp4 BrOH+ 1 vxc OK > * gga_k_absp4 BrOH 2 exc OK > * gga_k_absp4 BrOH 2 vxc OK > * gga_k_absp4 BrOH 1 exc OK > * gga_k_absp4 BrOH 1 vxc OK > * gga_k_absp4 H 2 exc OK > * gga_k_absp4 H 2 vxc OK > * gga_k_absp4 H 1 exc OK > * gga_k_absp4 H 1 vxc OK > * gga_k_absp4 Li 2 exc OK > * gga_k_absp4 Li 2 vxc OK > * gga_k_absp4 Li 1 exc OK > * gga_k_absp4 Li 1 vxc OK > * gga_k_apbe BrOH+ 2 exc OK > * gga_k_apbe BrOH+ 2 vxc OK > * gga_k_apbe BrOH+ 1 exc OK > * gga_k_apbe BrOH+ 1 vxc OK > * gga_k_apbe BrOH 2 exc OK > * gga_k_apbe BrOH 2 vxc OK > * gga_k_apbe BrOH 1 exc OK > * gga_k_apbe BrOH 1 vxc OK > * gga_k_apbe H 2 exc OK > * gga_k_apbe H 2 vxc OK > * gga_k_apbe H 1 exc OK > * gga_k_apbe H 1 vxc OK > * gga_k_apbe Li 2 exc OK > * gga_k_apbe Li 2 vxc OK > * gga_k_apbe Li 1 exc OK > * gga_k_apbe Li 1 vxc OK > * gga_k_apbeint BrOH+ 2 exc OK > * gga_k_apbeint BrOH+ 2 vxc OK > * gga_k_apbeint BrOH+ 1 exc OK > * gga_k_apbeint BrOH+ 1 vxc OK > * gga_k_apbeint BrOH 2 exc OK > * gga_k_apbeint BrOH 2 vxc OK > * gga_k_apbeint BrOH 1 exc OK > * gga_k_apbeint BrOH 1 vxc OK > * gga_k_apbeint H 2 exc OK > * gga_k_apbeint H 2 vxc OK > * gga_k_apbeint H 1 exc OK > * gga_k_apbeint H 1 vxc OK > * gga_k_apbeint Li 2 exc OK > * gga_k_apbeint Li 2 vxc OK > * gga_k_apbeint Li 1 exc OK > * gga_k_apbeint Li 1 vxc OK > * gga_k_baltin BrOH+ 2 exc OK > * gga_k_baltin BrOH+ 2 vxc OK > * gga_k_baltin BrOH+ 1 exc OK > * gga_k_baltin BrOH+ 1 vxc OK > * gga_k_baltin BrOH 2 exc OK > * gga_k_baltin BrOH 2 vxc OK > * gga_k_baltin BrOH 1 exc OK > * gga_k_baltin BrOH 1 vxc OK > * gga_k_baltin H 2 exc OK > * gga_k_baltin H 2 vxc OK > * gga_k_baltin H 1 exc OK > * gga_k_baltin H 1 vxc OK > * gga_k_baltin Li 2 exc OK > * gga_k_baltin Li 2 vxc OK > * gga_k_baltin Li 1 exc OK > * gga_k_baltin Li 1 vxc OK > * gga_k_dk BrOH+ 2 exc OK > * gga_k_dk BrOH+ 2 vxc OK > * gga_k_dk BrOH+ 1 exc OK > * gga_k_dk BrOH+ 1 vxc OK > * gga_k_dk BrOH 2 exc OK > * gga_k_dk BrOH 2 vxc OK > * gga_k_dk BrOH 1 exc OK > * gga_k_dk BrOH 1 vxc OK > * gga_k_dk H 2 exc OK > * gga_k_dk H 2 vxc OK > * gga_k_dk H 1 exc OK > * gga_k_dk H 1 vxc OK > * gga_k_dk Li 2 exc OK > * gga_k_dk Li 2 vxc OK > * gga_k_dk Li 1 exc OK > * gga_k_dk Li 1 vxc OK > * gga_k_ernzerhof BrOH+ 2 exc OK > * gga_k_ernzerhof BrOH+ 2 vxc OK > * gga_k_ernzerhof BrOH+ 1 exc OK > * gga_k_ernzerhof BrOH+ 1 vxc OK > * gga_k_ernzerhof BrOH 2 exc OK > * gga_k_ernzerhof BrOH 2 vxc OK > * gga_k_ernzerhof BrOH 1 exc OK > * gga_k_ernzerhof BrOH 1 vxc OK > * gga_k_ernzerhof H 2 exc OK > * gga_k_ernzerhof H 2 vxc OK > * gga_k_ernzerhof H 1 exc OK > * gga_k_ernzerhof H 1 vxc OK > * gga_k_ernzerhof Li 2 exc OK > * gga_k_ernzerhof Li 2 vxc OK > * gga_k_ernzerhof Li 1 exc OK > * gga_k_ernzerhof Li 1 vxc OK > * gga_k_exp4 BrOH+ 2 exc OK > * gga_k_exp4 BrOH+ 2 vxc OK > * gga_k_exp4 BrOH+ 1 exc OK > * gga_k_exp4 BrOH+ 1 vxc OK > * gga_k_exp4 BrOH 2 exc OK > * gga_k_exp4 BrOH 2 vxc OK > * gga_k_exp4 BrOH 1 exc OK > * gga_k_exp4 BrOH 1 vxc OK > * gga_k_exp4 H 2 exc OK > * gga_k_exp4 H 2 vxc OK > * gga_k_exp4 H 1 exc OK > * gga_k_exp4 H 1 vxc OK > * gga_k_exp4 Li 2 exc OK > * gga_k_exp4 Li 2 vxc OK > * gga_k_exp4 Li 1 exc OK > * gga_k_exp4 Li 1 vxc OK > * gga_k_fr_b88 BrOH+ 2 exc OK > * gga_k_fr_b88 BrOH+ 2 vxc OK > * gga_k_fr_b88 BrOH+ 1 exc OK > * gga_k_fr_b88 BrOH+ 1 vxc OK > * gga_k_fr_b88 BrOH 2 exc OK > * gga_k_fr_b88 BrOH 2 vxc OK > * gga_k_fr_b88 BrOH 1 exc OK > * gga_k_fr_b88 BrOH 1 vxc OK > * gga_k_fr_b88 H 2 exc OK > * gga_k_fr_b88 H 2 vxc OK > * gga_k_fr_b88 H 1 exc OK > * gga_k_fr_b88 H 1 vxc OK > * gga_k_fr_b88 Li 2 exc OK > * gga_k_fr_b88 Li 2 vxc OK > * gga_k_fr_b88 Li 1 exc OK > * gga_k_fr_b88 Li 1 vxc OK > * gga_k_fr_pw86 BrOH+ 2 exc OK > * gga_k_fr_pw86 BrOH+ 2 vxc OK > * gga_k_fr_pw86 BrOH+ 1 exc OK > * gga_k_fr_pw86 BrOH+ 1 vxc OK > * gga_k_fr_pw86 BrOH 2 exc OK > * gga_k_fr_pw86 BrOH 2 vxc OK > * gga_k_fr_pw86 BrOH 1 exc OK > * gga_k_fr_pw86 BrOH 1 vxc OK > * gga_k_fr_pw86 H 2 exc OK > * gga_k_fr_pw86 H 2 vxc OK > * gga_k_fr_pw86 H 1 exc OK > * gga_k_fr_pw86 H 1 vxc OK > * gga_k_fr_pw86 Li 2 exc OK > * gga_k_fr_pw86 Li 2 vxc OK > * gga_k_fr_pw86 Li 1 exc OK > * gga_k_fr_pw86 Li 1 vxc OK > * gga_k_gds08 BrOH+ 2 exc OK > * gga_k_gds08 BrOH+ 2 vxc OK > * gga_k_gds08 BrOH+ 1 exc OK > * gga_k_gds08 BrOH+ 1 vxc OK > * gga_k_gds08 BrOH 2 exc OK > * gga_k_gds08 BrOH 2 vxc OK > * gga_k_gds08 BrOH 1 exc OK > * gga_k_gds08 BrOH 1 vxc OK > * gga_k_gds08 H 2 exc OK > * gga_k_gds08 H 2 vxc OK > * gga_k_gds08 H 1 exc OK > * gga_k_gds08 H 1 vxc OK > * gga_k_gds08 Li 2 exc OK > * gga_k_gds08 Li 2 vxc OK > * gga_k_gds08 Li 1 exc OK > * gga_k_gds08 Li 1 vxc OK > * gga_k_ge2 BrOH+ 2 exc OK > * gga_k_ge2 BrOH+ 2 vxc OK > * gga_k_ge2 BrOH+ 1 exc OK > * gga_k_ge2 BrOH+ 1 vxc OK > * gga_k_ge2 BrOH 2 exc OK > * gga_k_ge2 BrOH 2 vxc OK > * gga_k_ge2 BrOH 1 exc OK > * gga_k_ge2 BrOH 1 vxc OK > * gga_k_ge2 H 2 exc OK > * gga_k_ge2 H 2 vxc OK > * gga_k_ge2 H 1 exc OK > * gga_k_ge2 H 1 vxc OK > * gga_k_ge2 Li 2 exc OK > * gga_k_ge2 Li 2 vxc OK > * gga_k_ge2 Li 1 exc OK > * gga_k_ge2 Li 1 vxc OK > * gga_k_ghds10 BrOH+ 2 exc OK > * gga_k_ghds10 BrOH+ 2 vxc OK > * gga_k_ghds10 BrOH+ 1 exc OK > * gga_k_ghds10 BrOH+ 1 vxc OK > * gga_k_ghds10 BrOH 2 exc OK > * gga_k_ghds10 BrOH 2 vxc OK > * gga_k_ghds10 BrOH 1 exc OK > * gga_k_ghds10 BrOH 1 vxc OK > * gga_k_ghds10 H 2 exc OK > * gga_k_ghds10 H 2 vxc OK > * gga_k_ghds10 H 1 exc OK > * gga_k_ghds10 H 1 vxc OK > * gga_k_ghds10 Li 2 exc OK > * gga_k_ghds10 Li 2 vxc OK > * gga_k_ghds10 Li 1 exc OK > * gga_k_ghds10 Li 1 vxc OK > * gga_k_ghds10r BrOH+ 2 exc OK > * gga_k_ghds10r BrOH+ 2 vxc OK > * gga_k_ghds10r BrOH+ 1 exc OK > * gga_k_ghds10r BrOH+ 1 vxc OK > * gga_k_ghds10r BrOH 2 exc OK > * gga_k_ghds10r BrOH 2 vxc OK > * gga_k_ghds10r BrOH 1 exc OK > * gga_k_ghds10r BrOH 1 vxc OK > * gga_k_ghds10r H 2 exc OK > * gga_k_ghds10r H 2 vxc OK > * gga_k_ghds10r H 1 exc OK > * gga_k_ghds10r H 1 vxc OK > * gga_k_ghds10r Li 2 exc OK > * gga_k_ghds10r Li 2 vxc OK > * gga_k_ghds10r Li 1 exc OK > * gga_k_ghds10r Li 1 vxc OK > * gga_k_golden BrOH+ 2 exc OK > * gga_k_golden BrOH+ 2 vxc OK > * gga_k_golden BrOH+ 1 exc OK > * gga_k_golden BrOH+ 1 vxc OK > * gga_k_golden BrOH 2 exc OK > * gga_k_golden BrOH 2 vxc OK > * gga_k_golden BrOH 1 exc OK > * gga_k_golden BrOH 1 vxc OK > * gga_k_golden H 2 exc OK > * gga_k_golden H 2 vxc OK > * gga_k_golden H 1 exc OK > * gga_k_golden H 1 vxc OK > * gga_k_golden Li 2 exc OK > * gga_k_golden Li 2 vxc OK > * gga_k_golden Li 1 exc OK > * gga_k_golden Li 1 vxc OK > * gga_k_gp85 BrOH+ 2 exc OK > * gga_k_gp85 BrOH+ 2 vxc OK > * gga_k_gp85 BrOH+ 1 exc OK > * gga_k_gp85 BrOH+ 1 vxc OK > * gga_k_gp85 BrOH 2 exc OK > * gga_k_gp85 BrOH 2 vxc OK > * gga_k_gp85 BrOH 1 exc OK > * gga_k_gp85 BrOH 1 vxc OK > * gga_k_gp85 H 2 exc OK > * gga_k_gp85 H 2 vxc OK > * gga_k_gp85 H 1 exc OK > * gga_k_gp85 H 1 vxc OK > * gga_k_gp85 Li 2 exc OK > * gga_k_gp85 Li 2 vxc OK > * gga_k_gp85 Li 1 exc OK > * gga_k_gp85 Li 1 vxc OK > * gga_k_gr BrOH+ 2 exc OK > * gga_k_gr BrOH+ 2 vxc OK > * gga_k_gr BrOH+ 1 exc OK > * gga_k_gr BrOH+ 1 vxc OK > * gga_k_gr BrOH 2 exc OK > * gga_k_gr BrOH 2 vxc OK > * gga_k_gr BrOH 1 exc OK > * gga_k_gr BrOH 1 vxc OK > * gga_k_gr H 2 exc OK > * gga_k_gr H 2 vxc OK > * gga_k_gr H 1 exc OK > * gga_k_gr H 1 vxc OK > * gga_k_gr Li 2 exc OK > * gga_k_gr Li 2 vxc OK > * gga_k_gr Li 1 exc OK > * gga_k_gr Li 1 vxc OK > * gga_k_lc94 BrOH+ 2 exc OK > * gga_k_lc94 BrOH+ 2 vxc OK > * gga_k_lc94 BrOH+ 1 exc OK > * gga_k_lc94 BrOH+ 1 vxc OK > * gga_k_lc94 BrOH 2 exc OK > * gga_k_lc94 BrOH 2 vxc OK > * gga_k_lc94 BrOH 1 exc OK > * gga_k_lc94 BrOH 1 vxc OK > * gga_k_lc94 H 2 exc OK > * gga_k_lc94 H 2 vxc OK > * gga_k_lc94 H 1 exc OK > * gga_k_lc94 H 1 vxc OK > * gga_k_lc94 Li 2 exc OK > * gga_k_lc94 Li 2 vxc OK > * gga_k_lc94 Li 1 exc OK > * gga_k_lc94 Li 1 vxc OK > * gga_k_lgap_ge BrOH+ 2 exc OK > * gga_k_lgap_ge BrOH+ 2 vxc OK > * gga_k_lgap_ge BrOH+ 1 exc OK > * gga_k_lgap_ge BrOH+ 1 vxc OK > * gga_k_lgap_ge BrOH 2 exc OK > * gga_k_lgap_ge BrOH 2 vxc OK > * gga_k_lgap_ge BrOH 1 exc OK > * gga_k_lgap_ge BrOH 1 vxc OK > * gga_k_lgap_ge H 2 exc OK > * gga_k_lgap_ge H 2 vxc OK > * gga_k_lgap_ge H 1 exc OK > * gga_k_lgap_ge H 1 vxc OK > * gga_k_lgap_ge Li 2 exc OK > * gga_k_lgap_ge Li 2 vxc OK > * gga_k_lgap_ge Li 1 exc OK > * gga_k_lgap_ge Li 1 vxc OK > * gga_k_lieb BrOH+ 2 exc OK > * gga_k_lieb BrOH+ 2 vxc OK > * gga_k_lieb BrOH+ 1 exc OK > * gga_k_lieb BrOH+ 1 vxc OK > * gga_k_lieb BrOH 2 exc OK > * gga_k_lieb BrOH 2 vxc OK > * gga_k_lieb BrOH 1 exc OK > * gga_k_lieb BrOH 1 vxc OK > * gga_k_lieb H 2 exc OK > * gga_k_lieb H 2 vxc OK > * gga_k_lieb H 1 exc OK > * gga_k_lieb H 1 vxc OK > * gga_k_lieb Li 2 exc OK > * gga_k_lieb Li 2 vxc OK > * gga_k_lieb Li 1 exc OK > * gga_k_lieb Li 1 vxc OK > * gga_k_lkt BrOH+ 2 exc OK > * gga_k_lkt BrOH+ 2 vxc OK > * gga_k_lkt BrOH+ 1 exc OK > * gga_k_lkt BrOH+ 1 vxc OK > * gga_k_lkt BrOH 2 exc OK > * gga_k_lkt BrOH 2 vxc OK > * gga_k_lkt BrOH 1 exc OK > * gga_k_lkt BrOH 1 vxc OK > * gga_k_lkt H 2 exc OK > * gga_k_lkt H 2 vxc OK > * gga_k_lkt H 1 exc OK > * gga_k_lkt H 1 vxc OK > * gga_k_lkt Li 2 exc OK > * gga_k_lkt Li 2 vxc OK > * gga_k_lkt Li 1 exc OK > * gga_k_lkt Li 1 vxc OK > * gga_k_llp BrOH+ 2 exc OK > * gga_k_llp BrOH+ 2 vxc OK > * gga_k_llp BrOH+ 1 exc OK > * gga_k_llp BrOH+ 1 vxc OK > * gga_k_llp BrOH 2 exc OK > * gga_k_llp BrOH 2 vxc OK > * gga_k_llp BrOH 1 exc OK > * gga_k_llp BrOH 1 vxc OK > * gga_k_llp H 2 exc OK > * gga_k_llp H 2 vxc OK > * gga_k_llp H 1 exc OK > * gga_k_llp H 1 vxc OK > * gga_k_llp Li 2 exc OK > * gga_k_llp Li 2 vxc OK > * gga_k_llp Li 1 exc OK > * gga_k_llp Li 1 vxc OK > * gga_k_ludena BrOH+ 2 exc OK > * gga_k_ludena BrOH+ 2 vxc OK > * gga_k_ludena BrOH+ 1 exc OK > * gga_k_ludena BrOH+ 1 vxc OK > * gga_k_ludena BrOH 2 exc OK > * gga_k_ludena BrOH 2 vxc OK > * gga_k_ludena BrOH 1 exc OK > * gga_k_ludena BrOH 1 vxc OK > * gga_k_ludena H 2 exc OK > * gga_k_ludena H 2 vxc OK > * gga_k_ludena H 1 exc OK > * gga_k_ludena H 1 vxc OK > * gga_k_ludena Li 2 exc OK > * gga_k_ludena Li 2 vxc OK > * gga_k_ludena Li 1 exc OK > * gga_k_ludena Li 1 vxc OK > * gga_k_meyer BrOH+ 2 exc OK > * gga_k_meyer BrOH+ 2 vxc OK > * gga_k_meyer BrOH+ 1 exc OK > * gga_k_meyer BrOH+ 1 vxc OK > * gga_k_meyer BrOH 2 exc OK > * gga_k_meyer BrOH 2 vxc OK > * gga_k_meyer BrOH 1 exc OK > * gga_k_meyer BrOH 1 vxc OK > * gga_k_meyer H 2 exc OK > * gga_k_meyer H 2 vxc OK > * gga_k_meyer H 1 exc OK > * gga_k_meyer H 1 vxc OK > * gga_k_meyer Li 1 exc OK > * gga_k_meyer Li 1 vxc OK > * gga_k_ol1 BrOH+ 2 exc OK > * gga_k_ol1 BrOH+ 2 vxc OK > * gga_k_ol1 BrOH+ 1 exc OK > * gga_k_ol1 BrOH+ 1 vxc OK > * gga_k_ol1 BrOH 2 exc OK > * gga_k_ol1 BrOH 2 vxc OK > * gga_k_ol1 BrOH 1 exc OK > * gga_k_ol1 BrOH 1 vxc OK > * gga_k_ol1 H 2 exc OK > * gga_k_ol1 H 2 vxc OK > * gga_k_ol1 H 1 exc OK > * gga_k_ol1 H 1 vxc OK > * gga_k_ol1 Li 2 exc OK > * gga_k_ol1 Li 2 vxc OK > * gga_k_ol1 Li 1 exc OK > * gga_k_ol1 Li 1 vxc OK > * gga_k_ol2 BrOH+ 2 exc OK > * gga_k_ol2 BrOH+ 2 vxc OK > * gga_k_ol2 BrOH+ 1 exc OK > * gga_k_ol2 BrOH+ 1 vxc OK > * gga_k_ol2 BrOH 2 exc OK > * gga_k_ol2 BrOH 2 vxc OK > * gga_k_ol2 BrOH 1 exc OK > * gga_k_ol2 BrOH 1 vxc OK > * gga_k_ol2 H 2 exc OK > * gga_k_ol2 H 2 vxc OK > * gga_k_ol2 H 1 exc OK > * gga_k_ol2 H 1 vxc OK > * gga_k_ol2 Li 2 exc OK > * gga_k_ol2 Li 2 vxc OK > * gga_k_ol2 Li 1 exc OK > * gga_k_ol2 Li 1 vxc OK > * gga_k_pbe2 BrOH+ 2 exc OK > * gga_k_pbe2 BrOH+ 2 vxc OK > * gga_k_pbe2 BrOH+ 1 exc OK > * gga_k_pbe2 BrOH+ 1 vxc OK > * gga_k_pbe2 BrOH 2 exc OK > * gga_k_pbe2 BrOH 2 vxc OK > * gga_k_pbe2 BrOH 1 exc OK > * gga_k_pbe2 BrOH 1 vxc OK > * gga_k_pbe2 H 2 exc OK > * gga_k_pbe2 H 2 vxc OK > * gga_k_pbe2 H 1 exc OK > * gga_k_pbe2 H 1 vxc OK > * gga_k_pbe2 Li 2 exc OK > * gga_k_pbe2 Li 2 vxc OK > * gga_k_pbe2 Li 1 exc OK > * gga_k_pbe2 Li 1 vxc OK > * gga_k_pbe3 BrOH+ 2 exc OK > * gga_k_pbe3 BrOH+ 2 vxc OK > * gga_k_pbe3 BrOH+ 1 exc OK > * gga_k_pbe3 BrOH+ 1 vxc OK > * gga_k_pbe3 BrOH 2 exc OK > * gga_k_pbe3 BrOH 2 vxc OK > * gga_k_pbe3 BrOH 1 exc OK > * gga_k_pbe3 BrOH 1 vxc OK > * gga_k_pbe3 H 2 exc OK > * gga_k_pbe3 H 2 vxc OK > * gga_k_pbe3 H 1 exc OK > * gga_k_pbe3 H 1 vxc OK > * gga_k_pbe3 Li 2 exc OK > * gga_k_pbe3 Li 2 vxc OK > * gga_k_pbe3 Li 1 exc OK > * gga_k_pbe3 Li 1 vxc OK > * gga_k_pbe4 BrOH+ 2 exc OK > * gga_k_pbe4 BrOH+ 2 vxc OK > * gga_k_pbe4 BrOH+ 1 exc OK > * gga_k_pbe4 BrOH+ 1 vxc OK > * gga_k_pbe4 BrOH 2 exc OK > * gga_k_pbe4 BrOH 2 vxc OK > * gga_k_pbe4 BrOH 1 exc OK > * gga_k_pbe4 BrOH 1 vxc OK > * gga_k_pbe4 H 2 exc OK > * gga_k_pbe4 H 2 vxc OK > * gga_k_pbe4 H 1 exc OK > * gga_k_pbe4 H 1 vxc OK > * gga_k_pbe4 Li 2 exc OK > * gga_k_pbe4 Li 2 vxc OK > * gga_k_pbe4 Li 1 exc OK > * gga_k_pbe4 Li 1 vxc OK > * gga_k_pearson BrOH+ 2 exc OK > * gga_k_pearson BrOH+ 2 vxc OK > * gga_k_pearson BrOH+ 1 exc OK > * gga_k_pearson BrOH+ 1 vxc OK > * gga_k_pearson BrOH 2 exc OK > * gga_k_pearson BrOH 2 vxc OK > * gga_k_pearson BrOH 1 exc OK > * gga_k_pearson BrOH 1 vxc OK > * gga_k_pearson H 2 exc OK > * gga_k_pearson H 2 vxc OK > * gga_k_pearson H 1 exc OK > * gga_k_pearson H 1 vxc OK > * gga_k_pearson Li 2 exc OK > * gga_k_pearson Li 2 vxc OK > * gga_k_pearson Li 1 exc OK > * gga_k_pearson Li 1 vxc OK > * gga_k_perdew BrOH+ 2 exc OK > * gga_k_perdew BrOH+ 2 vxc OK > * gga_k_perdew BrOH+ 1 exc OK > * gga_k_perdew BrOH+ 1 vxc OK > * gga_k_perdew BrOH 2 exc OK > * gga_k_perdew BrOH 2 vxc OK > * gga_k_perdew BrOH 1 exc OK > * gga_k_perdew BrOH 1 vxc OK > * gga_k_perdew H 2 exc OK > * gga_k_perdew H 2 vxc OK > * gga_k_perdew H 1 exc OK > * gga_k_perdew H 1 vxc OK > * gga_k_perdew Li 2 exc OK > * gga_k_perdew Li 2 vxc OK > * gga_k_perdew Li 1 exc OK > * gga_k_perdew Li 1 vxc OK > * gga_k_pg1 BrOH+ 2 exc OK > * gga_k_pg1 BrOH+ 2 vxc OK > * gga_k_pg1 BrOH+ 1 exc OK > * gga_k_pg1 BrOH+ 1 vxc OK > * gga_k_pg1 BrOH 2 exc OK > * gga_k_pg1 BrOH 2 vxc OK > * gga_k_pg1 BrOH 1 exc OK > * gga_k_pg1 BrOH 1 vxc OK > * gga_k_pg1 H 2 exc OK > * gga_k_pg1 H 2 vxc OK > * gga_k_pg1 H 1 exc OK > * gga_k_pg1 H 1 vxc OK > * gga_k_pg1 Li 2 exc OK > * gga_k_pg1 Li 2 vxc OK > * gga_k_pg1 Li 1 exc OK > * gga_k_pg1 Li 1 vxc OK > * gga_k_rational_p BrOH+ 2 exc OK > * gga_k_rational_p BrOH+ 2 vxc OK > * gga_k_rational_p BrOH+ 1 exc OK > * gga_k_rational_p BrOH+ 1 vxc OK > * gga_k_rational_p BrOH 2 exc OK > * gga_k_rational_p BrOH 2 vxc OK > * gga_k_rational_p BrOH 1 exc OK > * gga_k_rational_p BrOH 1 vxc OK > * gga_k_rational_p H 2 exc OK > * gga_k_rational_p H 2 vxc OK > * gga_k_rational_p H 1 exc OK > * gga_k_rational_p H 1 vxc OK > * gga_k_rational_p Li 2 exc OK > * gga_k_rational_p Li 2 vxc OK > * gga_k_rational_p Li 1 exc OK > * gga_k_rational_p Li 1 vxc OK > * gga_k_revapbe BrOH+ 2 exc OK > * gga_k_revapbe BrOH+ 2 vxc OK > * gga_k_revapbe BrOH+ 1 exc OK > * gga_k_revapbe BrOH+ 1 vxc OK > * gga_k_revapbe BrOH 2 exc OK > * gga_k_revapbe BrOH 2 vxc OK > * gga_k_revapbe BrOH 1 exc OK > * gga_k_revapbe BrOH 1 vxc OK > * gga_k_revapbe H 2 exc OK > * gga_k_revapbe H 2 vxc OK > * gga_k_revapbe H 1 exc OK > * gga_k_revapbe H 1 vxc OK > * gga_k_revapbe Li 2 exc OK > * gga_k_revapbe Li 2 vxc OK > * gga_k_revapbe Li 1 exc OK > * gga_k_revapbe Li 1 vxc OK > * gga_k_revapbeint BrOH+ 2 exc OK > * gga_k_revapbeint BrOH+ 2 vxc OK > * gga_k_revapbeint BrOH+ 1 exc OK > * gga_k_revapbeint BrOH+ 1 vxc OK > * gga_k_revapbeint BrOH 2 exc OK > * gga_k_revapbeint BrOH 2 vxc OK > * gga_k_revapbeint BrOH 1 exc OK > * gga_k_revapbeint BrOH 1 vxc OK > * gga_k_revapbeint H 2 exc OK > * gga_k_revapbeint H 2 vxc OK > * gga_k_revapbeint H 1 exc OK > * gga_k_revapbeint H 1 vxc OK > * gga_k_revapbeint Li 2 exc OK > * gga_k_revapbeint Li 2 vxc OK > * gga_k_revapbeint Li 1 exc OK > * gga_k_revapbeint Li 1 vxc OK > * gga_k_tfvw BrOH+ 2 exc OK > * gga_k_tfvw BrOH+ 2 vxc OK > * gga_k_tfvw BrOH+ 1 exc OK > * gga_k_tfvw BrOH+ 1 vxc OK > * gga_k_tfvw BrOH 2 exc OK > * gga_k_tfvw BrOH 2 vxc OK > * gga_k_tfvw BrOH 1 exc OK > * gga_k_tfvw BrOH 1 vxc OK > * gga_k_tfvw H 2 exc OK > * gga_k_tfvw H 2 vxc OK > * gga_k_tfvw H 1 exc OK > * gga_k_tfvw H 1 vxc OK > * gga_k_tfvw Li 2 exc OK > * gga_k_tfvw Li 2 vxc OK > * gga_k_tfvw Li 1 exc OK > * gga_k_tfvw Li 1 vxc OK > * gga_k_tfvw_opt BrOH+ 2 exc OK > * gga_k_tfvw_opt BrOH+ 2 vxc OK > * gga_k_tfvw_opt BrOH+ 1 exc OK > * gga_k_tfvw_opt BrOH+ 1 vxc OK > * gga_k_tfvw_opt BrOH 2 exc OK > * gga_k_tfvw_opt BrOH 2 vxc OK > * gga_k_tfvw_opt BrOH 1 exc OK > * gga_k_tfvw_opt BrOH 1 vxc OK > * gga_k_tfvw_opt H 2 exc OK > * gga_k_tfvw_opt H 2 vxc OK > * gga_k_tfvw_opt H 1 exc OK > * gga_k_tfvw_opt H 1 vxc OK > * gga_k_tfvw_opt Li 2 exc OK > * gga_k_tfvw_opt Li 2 vxc OK > * gga_k_tfvw_opt Li 1 exc OK > * gga_k_tfvw_opt Li 1 vxc OK > * gga_k_thakkar BrOH+ 2 exc OK > * gga_k_thakkar BrOH+ 2 vxc OK > * gga_k_thakkar BrOH+ 1 exc OK > * gga_k_thakkar BrOH+ 1 vxc OK > * gga_k_thakkar BrOH 2 exc OK > * gga_k_thakkar BrOH 2 vxc OK > * gga_k_thakkar BrOH 1 exc OK > * gga_k_thakkar BrOH 1 vxc OK > * gga_k_thakkar H 2 exc OK > * gga_k_thakkar H 2 vxc OK > * gga_k_thakkar H 1 exc OK > * gga_k_thakkar H 1 vxc OK > * gga_k_thakkar Li 2 exc OK > * gga_k_thakkar Li 2 vxc OK > * gga_k_thakkar Li 1 exc OK > * gga_k_thakkar Li 1 vxc OK > * gga_k_tkvln BrOH+ 2 exc OK > * gga_k_tkvln BrOH+ 2 vxc OK > * gga_k_tkvln BrOH+ 1 exc OK > * gga_k_tkvln BrOH+ 1 vxc OK > * gga_k_tkvln BrOH 2 exc OK > * gga_k_tkvln BrOH 2 vxc OK > * gga_k_tkvln BrOH 1 exc OK > * gga_k_tkvln BrOH 1 vxc OK > * gga_k_tkvln H 2 exc OK > * gga_k_tkvln H 2 vxc OK > * gga_k_tkvln H 1 exc OK > * gga_k_tkvln H 1 vxc OK > * gga_k_tkvln Li 2 exc OK > * gga_k_tkvln Li 2 vxc OK > * gga_k_tkvln Li 1 exc OK > * gga_k_tkvln Li 1 vxc OK > * gga_k_tw1 BrOH+ 2 exc OK > * gga_k_tw1 BrOH+ 2 vxc OK > * gga_k_tw1 BrOH+ 1 exc OK > * gga_k_tw1 BrOH+ 1 vxc OK > * gga_k_tw1 BrOH 2 exc OK > * gga_k_tw1 BrOH 2 vxc OK > * gga_k_tw1 BrOH 1 exc OK > * gga_k_tw1 BrOH 1 vxc OK > * gga_k_tw1 H 2 exc OK > * gga_k_tw1 H 2 vxc OK > * gga_k_tw1 H 1 exc OK > * gga_k_tw1 H 1 vxc OK > * gga_k_tw1 Li 2 exc OK > * gga_k_tw1 Li 2 vxc OK > * gga_k_tw1 Li 1 exc OK > * gga_k_tw1 Li 1 vxc OK > * gga_k_tw2 BrOH+ 2 exc OK > * gga_k_tw2 BrOH+ 2 vxc OK > * gga_k_tw2 BrOH+ 1 exc OK > * gga_k_tw2 BrOH+ 1 vxc OK > * gga_k_tw2 BrOH 2 exc OK > * gga_k_tw2 BrOH 2 vxc OK > * gga_k_tw2 BrOH 1 exc OK > * gga_k_tw2 BrOH 1 vxc OK > * gga_k_tw2 H 2 exc OK > * gga_k_tw2 H 2 vxc OK > * gga_k_tw2 H 1 exc OK > * gga_k_tw2 H 1 vxc OK > * gga_k_tw2 Li 2 exc OK > * gga_k_tw2 Li 2 vxc OK > * gga_k_tw2 Li 1 exc OK > * gga_k_tw2 Li 1 vxc OK > * gga_k_tw3 BrOH+ 2 exc OK > * gga_k_tw3 BrOH+ 2 vxc OK > * gga_k_tw3 BrOH+ 1 exc OK > * gga_k_tw3 BrOH+ 1 vxc OK > * gga_k_tw3 BrOH 2 exc OK > * gga_k_tw3 BrOH 2 vxc OK > * gga_k_tw3 BrOH 1 exc OK > * gga_k_tw3 BrOH 1 vxc OK > * gga_k_tw3 H 2 exc OK > * gga_k_tw3 H 2 vxc OK > * gga_k_tw3 H 1 exc OK > * gga_k_tw3 H 1 vxc OK > * gga_k_tw3 Li 2 exc OK > * gga_k_tw3 Li 2 vxc OK > * gga_k_tw3 Li 1 exc OK > * gga_k_tw3 Li 1 vxc OK > * gga_k_tw4 BrOH+ 2 exc OK > * gga_k_tw4 BrOH+ 2 vxc OK > * gga_k_tw4 BrOH+ 1 exc OK > * gga_k_tw4 BrOH+ 1 vxc OK > * gga_k_tw4 BrOH 2 exc OK > * gga_k_tw4 BrOH 2 vxc OK > * gga_k_tw4 BrOH 1 exc OK > * gga_k_tw4 BrOH 1 vxc OK > * gga_k_tw4 H 2 exc OK > * gga_k_tw4 H 2 vxc OK > * gga_k_tw4 H 1 exc OK > * gga_k_tw4 H 1 vxc OK > * gga_k_tw4 Li 2 exc OK > * gga_k_tw4 Li 2 vxc OK > * gga_k_tw4 Li 1 exc OK > * gga_k_tw4 Li 1 vxc OK > * gga_k_vjks BrOH+ 2 exc OK > * gga_k_vjks BrOH+ 2 vxc OK > * gga_k_vjks BrOH+ 1 exc OK > * gga_k_vjks BrOH+ 1 vxc OK > * gga_k_vjks BrOH 2 exc OK > * gga_k_vjks BrOH 2 vxc OK > * gga_k_vjks BrOH 1 exc OK > * gga_k_vjks BrOH 1 vxc OK > * gga_k_vjks H 2 exc OK > * gga_k_vjks H 2 vxc OK > * gga_k_vjks H 1 exc OK > * gga_k_vjks H 1 vxc OK > * gga_k_vjks Li 2 exc OK > * gga_k_vjks Li 2 vxc OK > * gga_k_vjks Li 1 exc OK > * gga_k_vjks Li 1 vxc OK > * gga_k_vsk BrOH+ 2 exc OK > * gga_k_vsk BrOH+ 2 vxc OK > * gga_k_vsk BrOH+ 1 exc OK > * gga_k_vsk BrOH+ 1 vxc OK > * gga_k_vsk BrOH 2 exc OK > * gga_k_vsk BrOH 2 vxc OK > * gga_k_vsk BrOH 1 exc OK > * gga_k_vsk BrOH 1 vxc OK > * gga_k_vsk H 2 exc OK > * gga_k_vsk H 2 vxc OK > * gga_k_vsk H 1 exc OK > * gga_k_vsk H 1 vxc OK > * gga_k_vsk Li 2 exc OK > * gga_k_vsk Li 2 vxc OK > * gga_k_vsk Li 1 exc OK > * gga_k_vsk Li 1 vxc OK > * gga_k_vt84f BrOH+ 2 exc OK > * gga_k_vt84f BrOH+ 2 vxc OK > * gga_k_vt84f BrOH+ 1 exc OK > * gga_k_vt84f BrOH+ 1 vxc OK > * gga_k_vt84f BrOH 2 exc OK > * gga_k_vt84f BrOH 2 vxc OK > * gga_k_vt84f BrOH 1 exc OK > * gga_k_vt84f BrOH 1 vxc OK > * gga_k_vt84f H 2 exc OK > * gga_k_vt84f H 2 vxc OK > * gga_k_vt84f H 1 exc OK > * gga_k_vt84f H 1 vxc OK > * gga_k_vt84f Li 2 exc OK > * gga_k_vt84f Li 2 vxc OK > * gga_k_vt84f Li 1 exc OK > * gga_k_vt84f Li 1 vxc OK > * gga_k_vw BrOH+ 2 exc OK > * gga_k_vw BrOH+ 2 vxc OK > * gga_k_vw BrOH+ 1 exc OK > * gga_k_vw BrOH+ 1 vxc OK > * gga_k_vw BrOH 2 exc OK > * gga_k_vw BrOH 2 vxc OK > * gga_k_vw BrOH 1 exc OK > * gga_k_vw BrOH 1 vxc OK > * gga_k_vw H 2 exc OK > * gga_k_vw H 2 vxc OK > * gga_k_vw H 1 exc OK > * gga_k_vw H 1 vxc OK > * gga_k_vw Li 2 exc OK > * gga_k_vw Li 2 vxc OK > * gga_k_vw Li 1 exc OK > * gga_k_vw Li 1 vxc OK > * gga_k_yt65 BrOH+ 2 exc OK > * gga_k_yt65 BrOH+ 2 vxc OK > * gga_k_yt65 BrOH+ 1 exc OK > * gga_k_yt65 BrOH+ 1 vxc OK > * gga_k_yt65 BrOH 2 exc OK > * gga_k_yt65 BrOH 2 vxc OK > * gga_k_yt65 BrOH 1 exc OK > * gga_k_yt65 BrOH 1 vxc OK > * gga_k_yt65 H 2 exc OK > * gga_k_yt65 H 2 vxc OK > * gga_k_yt65 H 1 exc OK > * gga_k_yt65 H 1 vxc OK > * gga_k_yt65 Li 2 exc OK > * gga_k_yt65 Li 2 vxc OK > * gga_k_yt65 Li 1 exc OK > * gga_k_yt65 Li 1 vxc OK > * gga_x_2d_b86 BrOH+ 2 exc OK > * gga_x_2d_b86 BrOH+ 2 vxc OK > * gga_x_2d_b86 BrOH+ 1 exc OK > * gga_x_2d_b86 BrOH+ 1 vxc OK > * gga_x_2d_b86 BrOH 2 exc OK > * gga_x_2d_b86 BrOH 2 vxc OK > * gga_x_2d_b86 BrOH 1 exc OK > * gga_x_2d_b86 BrOH 1 vxc OK > * gga_x_2d_b86 H 2 exc OK > * gga_x_2d_b86 H 2 vxc OK > * gga_x_2d_b86 H 1 exc OK > * gga_x_2d_b86 H 1 vxc OK > * gga_x_2d_b86 Li 2 exc OK > * gga_x_2d_b86 Li 2 vxc OK > * gga_x_2d_b86 Li 1 exc OK > * gga_x_2d_b86 Li 1 vxc OK > * gga_x_2d_b86_mgc BrOH+ 2 exc OK > * gga_x_2d_b86_mgc BrOH+ 2 vxc OK > * gga_x_2d_b86_mgc BrOH+ 1 exc OK > * gga_x_2d_b86_mgc BrOH+ 1 vxc OK > * gga_x_2d_b86_mgc BrOH 2 exc OK > * gga_x_2d_b86_mgc BrOH 2 vxc OK > * gga_x_2d_b86_mgc BrOH 1 exc OK > * gga_x_2d_b86_mgc BrOH 1 vxc OK > * gga_x_2d_b86_mgc H 2 exc OK > * gga_x_2d_b86_mgc H 2 vxc OK > * gga_x_2d_b86_mgc H 1 exc OK > * gga_x_2d_b86_mgc H 1 vxc OK > * gga_x_2d_b86_mgc Li 2 exc OK > * gga_x_2d_b86_mgc Li 2 vxc OK > * gga_x_2d_b86_mgc Li 1 exc OK > * gga_x_2d_b86_mgc Li 1 vxc OK > * gga_x_2d_b88 BrOH+ 2 exc OK > * gga_x_2d_b88 BrOH+ 2 vxc OK > * gga_x_2d_b88 BrOH+ 1 exc OK > * gga_x_2d_b88 BrOH+ 1 vxc OK > * gga_x_2d_b88 BrOH 2 exc OK > * gga_x_2d_b88 BrOH 2 vxc OK > * gga_x_2d_b88 BrOH 1 exc OK > * gga_x_2d_b88 BrOH 1 vxc OK > * gga_x_2d_b88 H 2 exc OK > * gga_x_2d_b88 H 2 vxc OK > * gga_x_2d_b88 H 1 exc OK > * gga_x_2d_b88 H 1 vxc OK > * gga_x_2d_b88 Li 2 exc OK > * gga_x_2d_b88 Li 2 vxc OK > * gga_x_2d_b88 Li 1 exc OK > * gga_x_2d_b88 Li 1 vxc OK > * gga_x_2d_pbe BrOH+ 2 exc OK > * gga_x_2d_pbe BrOH+ 2 vxc OK > * gga_x_2d_pbe BrOH+ 1 exc OK > * gga_x_2d_pbe BrOH+ 1 vxc OK > * gga_x_2d_pbe BrOH 2 exc OK > * gga_x_2d_pbe BrOH 2 vxc OK > * gga_x_2d_pbe BrOH 1 exc OK > * gga_x_2d_pbe BrOH 1 vxc OK > * gga_x_2d_pbe H 2 exc OK > * gga_x_2d_pbe H 2 vxc OK > * gga_x_2d_pbe H 1 exc OK > * gga_x_2d_pbe H 1 vxc OK > * gga_x_2d_pbe Li 2 exc OK > * gga_x_2d_pbe Li 2 vxc OK > * gga_x_2d_pbe Li 1 exc OK > * gga_x_2d_pbe Li 1 vxc OK > * gga_x_airy BrOH+ 2 exc OK > * gga_x_airy BrOH+ 2 vxc OK > * gga_x_airy BrOH+ 1 exc OK > * gga_x_airy BrOH+ 1 vxc OK > * gga_x_airy BrOH 2 exc OK > * gga_x_airy BrOH 2 vxc OK > * gga_x_airy BrOH 1 exc OK > * gga_x_airy BrOH 1 vxc OK > * gga_x_airy H 2 exc OK > * gga_x_airy H 2 vxc OK > * gga_x_airy H 1 exc OK > * gga_x_airy H 1 vxc OK > * gga_x_airy Li 2 exc OK > * gga_x_airy Li 2 vxc OK > * gga_x_airy Li 1 exc OK > * gga_x_airy Li 1 vxc OK > * gga_x_ak13 BrOH+ 2 exc OK > * gga_x_ak13 BrOH+ 2 vxc OK > * gga_x_ak13 BrOH+ 1 exc OK > * gga_x_ak13 BrOH+ 1 vxc OK > * gga_x_ak13 BrOH 2 exc OK > * gga_x_ak13 BrOH 2 vxc OK > * gga_x_ak13 BrOH 1 exc OK > * gga_x_ak13 BrOH 1 vxc OK > * gga_x_ak13 H 2 exc OK > * gga_x_ak13 H 2 vxc OK > * gga_x_ak13 H 1 exc OK > * gga_x_ak13 H 1 vxc OK > * gga_x_ak13 Li 2 exc OK > * gga_x_ak13 Li 2 vxc OK > * gga_x_ak13 Li 1 exc OK > * gga_x_ak13 Li 1 vxc OK > * gga_x_am05 BrOH+ 2 exc OK > * gga_x_am05 BrOH+ 2 vxc OK > * gga_x_am05 BrOH+ 1 exc OK > * gga_x_am05 BrOH+ 1 vxc OK > * gga_x_am05 BrOH 2 exc OK > * gga_x_am05 BrOH 2 vxc OK > * gga_x_am05 BrOH 1 exc OK > * gga_x_am05 BrOH 1 vxc OK > * gga_x_am05 H 2 exc OK > * gga_x_am05 H 2 vxc OK > * gga_x_am05 H 1 exc OK > * gga_x_am05 H 1 vxc OK > * gga_x_am05 Li 2 exc OK > * gga_x_am05 Li 2 vxc OK > * gga_x_am05 Li 1 exc OK > * gga_x_am05 Li 1 vxc OK > * gga_x_apbe BrOH+ 2 exc OK > * gga_x_apbe BrOH+ 2 vxc OK > * gga_x_apbe BrOH+ 1 exc OK > * gga_x_apbe BrOH+ 1 vxc OK > * gga_x_apbe BrOH 2 exc OK > * gga_x_apbe BrOH 2 vxc OK > * gga_x_apbe BrOH 1 exc OK > * gga_x_apbe BrOH 1 vxc OK > * gga_x_apbe H 2 exc OK > * gga_x_apbe H 2 vxc OK > * gga_x_apbe H 1 exc OK > * gga_x_apbe H 1 vxc OK > * gga_x_apbe Li 2 exc OK > * gga_x_apbe Li 2 vxc OK > * gga_x_apbe Li 1 exc OK > * gga_x_apbe Li 1 vxc OK > * gga_x_b86 BrOH+ 2 exc OK > * gga_x_b86 BrOH+ 2 vxc OK > * gga_x_b86 BrOH+ 1 exc OK > * gga_x_b86 BrOH+ 1 vxc OK > * gga_x_b86 BrOH 2 exc OK > * gga_x_b86 BrOH 2 vxc OK > * gga_x_b86 BrOH 1 exc OK > * gga_x_b86 BrOH 1 vxc OK > * gga_x_b86 H 2 exc OK > * gga_x_b86 H 2 vxc OK > * gga_x_b86 H 1 exc OK > * gga_x_b86 H 1 vxc OK > * gga_x_b86 Li 2 exc OK > * gga_x_b86 Li 2 vxc OK > * gga_x_b86 Li 1 exc OK > * gga_x_b86 Li 1 vxc OK > * gga_x_b86_mgc BrOH+ 2 exc OK > * gga_x_b86_mgc BrOH+ 2 vxc OK > * gga_x_b86_mgc BrOH+ 1 exc OK > * gga_x_b86_mgc BrOH+ 1 vxc OK > * gga_x_b86_mgc BrOH 2 exc OK > * gga_x_b86_mgc BrOH 2 vxc OK > * gga_x_b86_mgc BrOH 1 exc OK > * gga_x_b86_mgc BrOH 1 vxc OK > * gga_x_b86_mgc H 2 exc OK > * gga_x_b86_mgc H 2 vxc OK > * gga_x_b86_mgc H 1 exc OK > * gga_x_b86_mgc H 1 vxc OK > * gga_x_b86_mgc Li 2 exc OK > * gga_x_b86_mgc Li 2 vxc OK > * gga_x_b86_mgc Li 1 exc OK > * gga_x_b86_mgc Li 1 vxc OK > * gga_x_b86_r BrOH+ 2 exc OK > * gga_x_b86_r BrOH+ 2 vxc OK > * gga_x_b86_r BrOH+ 1 exc OK > * gga_x_b86_r BrOH+ 1 vxc OK > * gga_x_b86_r BrOH 2 exc OK > * gga_x_b86_r BrOH 2 vxc OK > * gga_x_b86_r BrOH 1 exc OK > * gga_x_b86_r BrOH 1 vxc OK > * gga_x_b86_r H 2 exc OK > * gga_x_b86_r H 2 vxc OK > * gga_x_b86_r H 1 exc OK > * gga_x_b86_r H 1 vxc OK > * gga_x_b86_r Li 2 exc OK > * gga_x_b86_r Li 2 vxc OK > * gga_x_b86_r Li 1 exc OK > * gga_x_b86_r Li 1 vxc OK > * gga_x_b88 BrOH+ 2 exc OK > * gga_x_b88 BrOH+ 2 vxc OK > * gga_x_b88 BrOH+ 1 exc OK > * gga_x_b88 BrOH+ 1 vxc OK > * gga_x_b88 BrOH 2 exc OK > * gga_x_b88 BrOH 2 vxc OK > * gga_x_b88 BrOH 1 exc OK > * gga_x_b88 BrOH 1 vxc OK > * gga_x_b88 H 2 exc OK > * gga_x_b88 H 2 vxc OK > * gga_x_b88 H 1 exc OK > * gga_x_b88 H 1 vxc OK > * gga_x_b88 Li 2 exc OK > * gga_x_b88 Li 2 vxc OK > * gga_x_b88 Li 1 exc OK > * gga_x_b88 Li 1 vxc OK > * gga_x_b88_6311g BrOH+ 2 exc OK > * gga_x_b88_6311g BrOH+ 2 vxc OK > * gga_x_b88_6311g BrOH+ 1 exc OK > * gga_x_b88_6311g BrOH+ 1 vxc OK > * gga_x_b88_6311g BrOH 2 exc OK > * gga_x_b88_6311g BrOH 2 vxc OK > * gga_x_b88_6311g BrOH 1 exc OK > * gga_x_b88_6311g BrOH 1 vxc OK > * gga_x_b88_6311g H 2 exc OK > * gga_x_b88_6311g H 2 vxc OK > * gga_x_b88_6311g H 1 exc OK > * gga_x_b88_6311g H 1 vxc OK > * gga_x_b88_6311g Li 2 exc OK > * gga_x_b88_6311g Li 2 vxc OK > * gga_x_b88_6311g Li 1 exc OK > * gga_x_b88_6311g Li 1 vxc OK > * gga_x_b88m BrOH+ 2 exc OK > * gga_x_b88m BrOH+ 2 vxc OK > * gga_x_b88m BrOH+ 1 exc OK > * gga_x_b88m BrOH+ 1 vxc OK > * gga_x_b88m BrOH 2 exc OK > * gga_x_b88m BrOH 2 vxc OK > * gga_x_b88m BrOH 1 exc OK > * gga_x_b88m BrOH 1 vxc OK > * gga_x_b88m H 2 exc OK > * gga_x_b88m H 2 vxc OK > * gga_x_b88m H 1 exc OK > * gga_x_b88m H 1 vxc OK > * gga_x_b88m Li 2 exc OK > * gga_x_b88m Li 2 vxc OK > * gga_x_b88m Li 1 exc OK > * gga_x_b88m Li 1 vxc OK > * gga_x_bayesian BrOH+ 2 exc OK > * gga_x_bayesian BrOH+ 2 vxc OK > * gga_x_bayesian BrOH+ 1 exc OK > * gga_x_bayesian BrOH+ 1 vxc OK > * gga_x_bayesian BrOH 2 exc OK > * gga_x_bayesian BrOH 2 vxc OK > * gga_x_bayesian BrOH 1 exc OK > * gga_x_bayesian BrOH 1 vxc OK > * gga_x_bayesian H 2 exc OK > * gga_x_bayesian H 2 vxc OK > * gga_x_bayesian H 1 exc OK > * gga_x_bayesian H 1 vxc OK > * gga_x_bayesian Li 2 exc OK > * gga_x_bayesian Li 2 vxc OK > * gga_x_bayesian Li 1 exc OK > * gga_x_bayesian Li 1 vxc OK > * gga_x_bcgp BrOH+ 2 exc OK > * gga_x_bcgp BrOH+ 2 vxc OK > * gga_x_bcgp BrOH+ 1 exc OK > * gga_x_bcgp BrOH+ 1 vxc OK > * gga_x_bcgp BrOH 2 exc OK > * gga_x_bcgp BrOH 2 vxc OK > * gga_x_bcgp BrOH 1 exc OK > * gga_x_bcgp BrOH 1 vxc OK > * gga_x_bcgp H 2 exc OK > * gga_x_bcgp H 2 vxc OK > * gga_x_bcgp H 1 exc OK > * gga_x_bcgp H 1 vxc OK > * gga_x_bcgp Li 2 exc OK > * gga_x_bcgp Li 2 vxc OK > * gga_x_bcgp Li 1 exc OK > * gga_x_bcgp Li 1 vxc OK > * gga_x_beefvdw BrOH+ 2 exc OK > * gga_x_beefvdw BrOH+ 2 vxc OK > * gga_x_beefvdw BrOH+ 1 exc OK > * gga_x_beefvdw BrOH+ 1 vxc OK > * gga_x_beefvdw BrOH 2 exc OK > * gga_x_beefvdw BrOH 2 vxc OK > * gga_x_beefvdw BrOH 1 exc OK > * gga_x_beefvdw BrOH 1 vxc OK > * gga_x_beefvdw H 2 exc OK > * gga_x_beefvdw H 2 vxc OK > * gga_x_beefvdw H 1 exc OK > * gga_x_beefvdw H 1 vxc OK > * gga_x_beefvdw Li 2 exc OK > * gga_x_beefvdw Li 2 vxc OK > * gga_x_beefvdw Li 1 exc OK > * gga_x_beefvdw Li 1 vxc OK > * gga_x_bpccac BrOH+ 2 exc OK > * gga_x_bpccac BrOH+ 2 vxc OK > * gga_x_bpccac BrOH+ 1 exc OK > * gga_x_bpccac BrOH+ 1 vxc OK > * gga_x_bpccac BrOH 2 exc OK > * gga_x_bpccac BrOH 2 vxc OK > * gga_x_bpccac BrOH 1 exc OK > * gga_x_bpccac BrOH 1 vxc OK > * gga_x_bpccac H 2 exc OK > * gga_x_bpccac H 2 vxc OK > * gga_x_bpccac H 1 exc OK > * gga_x_bpccac H 1 vxc OK > * gga_x_bpccac Li 2 exc OK > * gga_x_bpccac Li 2 vxc OK > * gga_x_bpccac Li 1 exc OK > * gga_x_bpccac Li 1 vxc OK > * gga_x_c09x BrOH+ 2 exc OK > * gga_x_c09x BrOH+ 2 vxc OK > * gga_x_c09x BrOH+ 1 exc OK > * gga_x_c09x BrOH+ 1 vxc OK > * gga_x_c09x BrOH 2 exc OK > * gga_x_c09x BrOH 2 vxc OK > * gga_x_c09x BrOH 1 exc OK > * gga_x_c09x BrOH 1 vxc OK > * gga_x_c09x H 2 exc OK > * gga_x_c09x H 2 vxc OK > * gga_x_c09x H 1 exc OK > * gga_x_c09x H 1 vxc OK > * gga_x_c09x Li 2 exc OK > * gga_x_c09x Li 2 vxc OK > * gga_x_c09x Li 1 exc OK > * gga_x_c09x Li 1 vxc OK > * gga_x_cap BrOH+ 2 exc OK > * gga_x_cap BrOH+ 2 vxc OK > * gga_x_cap BrOH+ 1 exc OK > * gga_x_cap BrOH+ 1 vxc OK > * gga_x_cap BrOH 2 exc OK > * gga_x_cap BrOH 2 vxc OK > * gga_x_cap BrOH 1 exc OK > * gga_x_cap BrOH 1 vxc OK > * gga_x_cap H 2 exc OK > * gga_x_cap H 2 vxc OK > * gga_x_cap H 1 exc OK > * gga_x_cap H 1 vxc OK > * gga_x_cap Li 2 exc OK > * gga_x_cap Li 2 vxc OK > * gga_x_cap Li 1 exc OK > * gga_x_cap Li 1 vxc OK > * gga_x_chachiyo BrOH+ 2 exc OK > * gga_x_chachiyo BrOH+ 2 vxc OK > * gga_x_chachiyo BrOH+ 1 exc OK > * gga_x_chachiyo BrOH+ 1 vxc OK > * gga_x_chachiyo BrOH 2 exc OK > * gga_x_chachiyo BrOH 2 vxc OK > * gga_x_chachiyo BrOH 1 exc OK > * gga_x_chachiyo BrOH 1 vxc OK > * gga_x_chachiyo H 2 exc OK > * gga_x_chachiyo H 2 vxc OK > * gga_x_chachiyo H 1 exc OK > * gga_x_chachiyo H 1 vxc OK > * gga_x_chachiyo Li 2 exc OK > * gga_x_chachiyo Li 2 vxc OK > * gga_x_chachiyo Li 1 exc OK > * gga_x_chachiyo Li 1 vxc OK > * gga_x_dk87_r1 BrOH+ 2 exc OK > * gga_x_dk87_r1 BrOH+ 2 vxc OK > * gga_x_dk87_r1 BrOH+ 1 exc OK > * gga_x_dk87_r1 BrOH+ 1 vxc OK > * gga_x_dk87_r1 BrOH 2 exc OK > * gga_x_dk87_r1 BrOH 2 vxc OK > * gga_x_dk87_r1 BrOH 1 exc OK > * gga_x_dk87_r1 BrOH 1 vxc OK > * gga_x_dk87_r1 H 2 exc OK > * gga_x_dk87_r1 H 2 vxc OK > * gga_x_dk87_r1 H 1 exc OK > * gga_x_dk87_r1 H 1 vxc OK > * gga_x_dk87_r1 Li 2 exc OK > * gga_x_dk87_r1 Li 2 vxc OK > * gga_x_dk87_r1 Li 1 exc OK > * gga_x_dk87_r1 Li 1 vxc OK > * gga_x_dk87_r2 BrOH+ 2 exc OK > * gga_x_dk87_r2 BrOH+ 2 vxc OK > * gga_x_dk87_r2 BrOH+ 1 exc OK > * gga_x_dk87_r2 BrOH+ 1 vxc OK > * gga_x_dk87_r2 BrOH 2 exc OK > * gga_x_dk87_r2 BrOH 2 vxc OK > * gga_x_dk87_r2 BrOH 1 exc OK > * gga_x_dk87_r2 BrOH 1 vxc OK > * gga_x_dk87_r2 H 2 exc OK > * gga_x_dk87_r2 H 2 vxc OK > * gga_x_dk87_r2 H 1 exc OK > * gga_x_dk87_r2 H 1 vxc OK > * gga_x_dk87_r2 Li 2 exc OK > * gga_x_dk87_r2 Li 2 vxc OK > * gga_x_dk87_r2 Li 1 exc OK > * gga_x_dk87_r2 Li 1 vxc OK > * gga_x_eb88 BrOH+ 2 exc OK > * gga_x_eb88 BrOH+ 2 vxc OK > * gga_x_eb88 BrOH+ 1 exc OK > * gga_x_eb88 BrOH+ 1 vxc OK > * gga_x_eb88 BrOH 2 exc OK > * gga_x_eb88 BrOH 2 vxc OK > * gga_x_eb88 BrOH 1 exc OK > * gga_x_eb88 BrOH 1 vxc OK > * gga_x_eb88 H 2 exc OK > * gga_x_eb88 H 2 vxc OK > * gga_x_eb88 H 1 exc OK > * gga_x_eb88 H 1 vxc OK > * gga_x_eb88 Li 2 exc OK > * gga_x_eb88 Li 2 vxc OK > * gga_x_eb88 Li 1 exc OK > * gga_x_eb88 Li 1 vxc OK > * gga_x_ecmv92 BrOH+ 2 exc OK > * gga_x_ecmv92 BrOH+ 2 vxc OK > * gga_x_ecmv92 BrOH+ 1 exc OK > * gga_x_ecmv92 BrOH+ 1 vxc OK > * gga_x_ecmv92 BrOH 2 exc OK > * gga_x_ecmv92 BrOH 2 vxc OK > * gga_x_ecmv92 BrOH 1 exc OK > * gga_x_ecmv92 BrOH 1 vxc OK > * gga_x_ecmv92 H 2 exc OK > * gga_x_ecmv92 H 2 vxc OK > * gga_x_ecmv92 H 1 exc OK > * gga_x_ecmv92 H 1 vxc OK > * gga_x_ecmv92 Li 2 exc OK > * gga_x_ecmv92 Li 2 vxc OK > * gga_x_ecmv92 Li 1 exc OK > * gga_x_ecmv92 Li 1 vxc OK > * gga_x_ev93 BrOH+ 2 exc OK > * gga_x_ev93 BrOH+ 2 vxc OK > * gga_x_ev93 BrOH+ 1 exc OK > * gga_x_ev93 BrOH+ 1 vxc OK > * gga_x_ev93 BrOH 2 exc OK > * gga_x_ev93 BrOH 2 vxc OK > * gga_x_ev93 BrOH 1 exc OK > * gga_x_ev93 BrOH 1 vxc OK > * gga_x_ev93 H 2 exc OK > * gga_x_ev93 H 2 vxc OK > * gga_x_ev93 H 1 exc OK > * gga_x_ev93 H 1 vxc OK > * gga_x_ev93 Li 2 exc OK > * gga_x_ev93 Li 2 vxc OK > * gga_x_ev93 Li 1 exc OK > * gga_x_ev93 Li 1 vxc OK > * gga_x_fd_lb94 BrOH+ 2 exc OK > * gga_x_fd_lb94 BrOH+ 2 vxc OK > * gga_x_fd_lb94 BrOH+ 1 exc OK > * gga_x_fd_lb94 BrOH+ 1 vxc OK > * gga_x_fd_lb94 BrOH 2 exc OK > * gga_x_fd_lb94 BrOH 2 vxc OK > * gga_x_fd_lb94 BrOH 1 exc OK > * gga_x_fd_lb94 BrOH 1 vxc OK > * gga_x_fd_lb94 H 2 exc OK > * gga_x_fd_lb94 H 2 vxc OK > * gga_x_fd_lb94 H 1 exc OK > * gga_x_fd_lb94 H 1 vxc OK > * gga_x_fd_lb94 Li 2 exc OK > * gga_x_fd_lb94 Li 2 vxc OK > * gga_x_fd_lb94 Li 1 exc OK > * gga_x_fd_lb94 Li 1 vxc OK > * gga_x_fd_revlb94 BrOH+ 2 exc OK > * gga_x_fd_revlb94 BrOH+ 2 vxc OK > * gga_x_fd_revlb94 BrOH+ 1 exc OK > * gga_x_fd_revlb94 BrOH+ 1 vxc OK > * gga_x_fd_revlb94 BrOH 2 exc OK > * gga_x_fd_revlb94 BrOH 2 vxc OK > * gga_x_fd_revlb94 BrOH 1 exc OK > * gga_x_fd_revlb94 BrOH 1 vxc OK > * gga_x_fd_revlb94 H 2 exc OK > * gga_x_fd_revlb94 H 2 vxc OK > * gga_x_fd_revlb94 H 1 exc OK > * gga_x_fd_revlb94 H 1 vxc OK > * gga_x_fd_revlb94 Li 2 exc OK > * gga_x_fd_revlb94 Li 2 vxc OK > * gga_x_fd_revlb94 Li 1 exc OK > * gga_x_fd_revlb94 Li 1 vxc OK > * gga_x_ft97_a BrOH+ 2 exc OK > * gga_x_ft97_a BrOH+ 2 vxc OK > * gga_x_ft97_a BrOH+ 1 exc OK > * gga_x_ft97_a BrOH+ 1 vxc OK > * gga_x_ft97_a BrOH 2 exc OK > * gga_x_ft97_a BrOH 2 vxc OK > * gga_x_ft97_a BrOH 1 exc OK > * gga_x_ft97_a BrOH 1 vxc OK > * gga_x_ft97_a H 2 exc OK > * gga_x_ft97_a H 2 vxc OK > * gga_x_ft97_a H 1 exc OK > * gga_x_ft97_a H 1 vxc OK > * gga_x_ft97_a Li 2 exc OK > * gga_x_ft97_a Li 2 vxc OK > * gga_x_ft97_a Li 1 exc OK > * gga_x_ft97_a Li 1 vxc OK > * gga_x_ft97_b BrOH+ 2 exc OK > * gga_x_ft97_b BrOH+ 2 vxc OK > * gga_x_ft97_b BrOH+ 1 exc OK > * gga_x_ft97_b BrOH+ 1 vxc OK > * gga_x_ft97_b BrOH 2 exc OK > * gga_x_ft97_b BrOH 2 vxc OK > * gga_x_ft97_b BrOH 1 exc OK > * gga_x_ft97_b BrOH 1 vxc OK > * gga_x_ft97_b H 2 exc OK > * gga_x_ft97_b H 2 vxc OK > * gga_x_ft97_b H 1 exc OK > * gga_x_ft97_b H 1 vxc OK > * gga_x_ft97_b Li 2 exc OK > * gga_x_ft97_b Li 2 vxc OK > * gga_x_ft97_b Li 1 exc OK > * gga_x_ft97_b Li 1 vxc OK > * gga_x_g96 BrOH+ 2 exc OK > * gga_x_g96 BrOH+ 2 vxc OK > * gga_x_g96 BrOH+ 1 exc OK > * gga_x_g96 BrOH+ 1 vxc OK > * gga_x_g96 BrOH 2 exc OK > * gga_x_g96 BrOH 2 vxc OK > * gga_x_g96 BrOH 1 exc OK > * gga_x_g96 BrOH 1 vxc OK > * gga_x_g96 H 2 exc OK > * gga_x_g96 H 2 vxc OK > * gga_x_g96 H 1 exc OK > * gga_x_g96 H 1 vxc OK > * gga_x_g96 Li 2 exc OK > * gga_x_g96 Li 2 vxc OK > * gga_x_g96 Li 1 exc OK > * gga_x_g96 Li 1 vxc OK > * gga_x_gam BrOH+ 2 exc OK > * gga_x_gam BrOH+ 2 vxc OK > * gga_x_gam BrOH+ 1 exc OK > * gga_x_gam BrOH+ 1 vxc OK > * gga_x_gam BrOH 2 exc OK > * gga_x_gam BrOH 2 vxc OK > * gga_x_gam BrOH 1 exc OK > * gga_x_gam BrOH 1 vxc OK > * gga_x_gam H 2 exc OK > * gga_x_gam H 1 exc OK > * gga_x_gam H 1 vxc OK > * gga_x_gam Li 2 exc OK > * gga_x_gam Li 2 vxc OK > * gga_x_gam Li 1 exc OK > * gga_x_gam Li 1 vxc OK > * gga_x_gg99 BrOH+ 2 exc OK > * gga_x_gg99 BrOH+ 2 vxc OK > * gga_x_gg99 BrOH+ 1 exc OK > * gga_x_gg99 BrOH+ 1 vxc OK > * gga_x_gg99 BrOH 2 exc OK > * gga_x_gg99 BrOH 2 vxc OK > * gga_x_gg99 BrOH 1 exc OK > * gga_x_gg99 BrOH 1 vxc OK > * gga_x_gg99 H 1 exc OK > * gga_x_gg99 H 1 vxc OK > * gga_x_gg99 Li 2 exc OK > * gga_x_gg99 Li 2 vxc OK > * gga_x_gg99 Li 1 exc OK > * gga_x_gg99 Li 1 vxc OK > * gga_x_hcth_a BrOH+ 2 exc OK > * gga_x_hcth_a BrOH+ 2 vxc OK > * gga_x_hcth_a BrOH+ 1 exc OK > * gga_x_hcth_a BrOH+ 1 vxc OK > * gga_x_hcth_a BrOH 2 exc OK > * gga_x_hcth_a BrOH 2 vxc OK > * gga_x_hcth_a BrOH 1 exc OK > * gga_x_hcth_a BrOH 1 vxc OK > * gga_x_hcth_a H 2 exc OK > * gga_x_hcth_a H 2 vxc OK > * gga_x_hcth_a H 1 exc OK > * gga_x_hcth_a H 1 vxc OK > * gga_x_hcth_a Li 2 exc OK > * gga_x_hcth_a Li 2 vxc OK > * gga_x_hcth_a Li 1 exc OK > * gga_x_hcth_a Li 1 vxc OK > * gga_x_herman BrOH+ 2 exc OK > * gga_x_herman BrOH+ 2 vxc OK > * gga_x_herman BrOH+ 1 exc OK > * gga_x_herman BrOH+ 1 vxc OK > * gga_x_herman BrOH 2 exc OK > * gga_x_herman BrOH 2 vxc OK > * gga_x_herman BrOH 1 exc OK > * gga_x_herman BrOH 1 vxc OK > * gga_x_herman H 2 exc OK > * gga_x_herman H 2 vxc OK > * gga_x_herman H 1 exc OK > * gga_x_herman H 1 vxc OK > * gga_x_herman Li 2 exc OK > * gga_x_herman Li 2 vxc OK > * gga_x_herman Li 1 exc OK > * gga_x_herman Li 1 vxc OK > * gga_x_hjs_b88 BrOH+ 2 exc OK > * gga_x_hjs_b88 BrOH+ 2 vxc OK > * gga_x_hjs_b88 BrOH+ 1 exc OK > * gga_x_hjs_b88 BrOH+ 1 vxc OK > * gga_x_hjs_b88 BrOH 2 exc OK > * gga_x_hjs_b88 BrOH 2 vxc OK > * gga_x_hjs_b88 BrOH 1 exc OK > * gga_x_hjs_b88 BrOH 1 vxc OK > * gga_x_hjs_b88 H 2 exc OK > * gga_x_hjs_b88 H 2 vxc OK > * gga_x_hjs_b88 H 1 exc OK > * gga_x_hjs_b88 H 1 vxc OK > * gga_x_hjs_b88 Li 2 exc OK > * gga_x_hjs_b88 Li 2 vxc OK > * gga_x_hjs_b88 Li 1 exc OK > * gga_x_hjs_b88 Li 1 vxc OK > * gga_x_hjs_b88_v2 BrOH+ 2 exc OK > * gga_x_hjs_b88_v2 BrOH+ 2 vxc OK > * gga_x_hjs_b88_v2 BrOH+ 1 exc OK > * gga_x_hjs_b88_v2 BrOH+ 1 vxc OK > * gga_x_hjs_b88_v2 BrOH 2 exc OK > * gga_x_hjs_b88_v2 BrOH 2 vxc OK > * gga_x_hjs_b88_v2 BrOH 1 exc OK > * gga_x_hjs_b88_v2 BrOH 1 vxc OK > * gga_x_hjs_b88_v2 H 2 exc OK > * gga_x_hjs_b88_v2 H 2 vxc OK > * gga_x_hjs_b88_v2 H 1 exc OK > * gga_x_hjs_b88_v2 H 1 vxc OK > * gga_x_hjs_b88_v2 Li 2 exc OK > * gga_x_hjs_b88_v2 Li 2 vxc OK > * gga_x_hjs_b88_v2 Li 1 exc OK > * gga_x_hjs_b88_v2 Li 1 vxc OK > * gga_x_hjs_b97x BrOH+ 2 exc OK > * gga_x_hjs_b97x BrOH+ 2 vxc OK > * gga_x_hjs_b97x BrOH+ 1 exc OK > * gga_x_hjs_b97x BrOH+ 1 vxc OK > * gga_x_hjs_b97x BrOH 2 exc OK > * gga_x_hjs_b97x BrOH 2 vxc OK > * gga_x_hjs_b97x BrOH 1 exc OK > * gga_x_hjs_b97x BrOH 1 vxc OK > * gga_x_hjs_b97x H 2 exc OK > * gga_x_hjs_b97x H 2 vxc OK > * gga_x_hjs_b97x H 1 exc OK > * gga_x_hjs_b97x H 1 vxc OK > * gga_x_hjs_b97x Li 2 exc OK > * gga_x_hjs_b97x Li 2 vxc OK > * gga_x_hjs_b97x Li 1 exc OK > * gga_x_hjs_b97x Li 1 vxc OK > * gga_x_hjs_pbe BrOH+ 2 exc OK > * gga_x_hjs_pbe BrOH+ 2 vxc OK > * gga_x_hjs_pbe BrOH+ 1 exc OK > * gga_x_hjs_pbe BrOH+ 1 vxc OK > * gga_x_hjs_pbe BrOH 2 exc OK > * gga_x_hjs_pbe BrOH 2 vxc OK > * gga_x_hjs_pbe BrOH 1 exc OK > * gga_x_hjs_pbe BrOH 1 vxc OK > * gga_x_hjs_pbe H 2 exc OK > * gga_x_hjs_pbe H 2 vxc OK > * gga_x_hjs_pbe H 1 exc OK > * gga_x_hjs_pbe H 1 vxc OK > * gga_x_hjs_pbe Li 2 exc OK > * gga_x_hjs_pbe Li 2 vxc OK > * gga_x_hjs_pbe Li 1 exc OK > * gga_x_hjs_pbe Li 1 vxc OK > * gga_x_hjs_pbe_sol BrOH+ 2 exc OK > * gga_x_hjs_pbe_sol BrOH+ 2 vxc OK > * gga_x_hjs_pbe_sol BrOH+ 1 exc OK > * gga_x_hjs_pbe_sol BrOH+ 1 vxc OK > * gga_x_hjs_pbe_sol BrOH 2 exc OK > * gga_x_hjs_pbe_sol BrOH 2 vxc OK > * gga_x_hjs_pbe_sol BrOH 1 exc OK > * gga_x_hjs_pbe_sol BrOH 1 vxc OK > * gga_x_hjs_pbe_sol H 2 exc OK > * gga_x_hjs_pbe_sol H 2 vxc OK > * gga_x_hjs_pbe_sol H 1 exc OK > * gga_x_hjs_pbe_sol H 1 vxc OK > * gga_x_hjs_pbe_sol Li 2 exc OK > * gga_x_hjs_pbe_sol Li 2 vxc OK > * gga_x_hjs_pbe_sol Li 1 exc OK > * gga_x_hjs_pbe_sol Li 1 vxc OK > * gga_x_htbs BrOH+ 2 exc OK > * gga_x_htbs BrOH+ 1 exc OK > * gga_x_htbs BrOH 2 exc OK > * gga_x_htbs BrOH 1 exc OK > * gga_x_htbs H 2 exc OK > * gga_x_htbs H 2 vxc OK > * gga_x_htbs H 1 exc OK > * gga_x_htbs H 1 vxc OK > * gga_x_htbs Li 2 exc OK > * gga_x_htbs Li 1 exc OK > * gga_x_ityh BrOH+ 2 exc OK > * gga_x_ityh BrOH+ 2 vxc OK > * gga_x_ityh BrOH+ 1 exc OK > * gga_x_ityh BrOH+ 1 vxc OK > * gga_x_ityh BrOH 2 exc OK > * gga_x_ityh BrOH 2 vxc OK > * gga_x_ityh BrOH 1 exc OK > * gga_x_ityh BrOH 1 vxc OK > * gga_x_ityh H 2 exc OK > * gga_x_ityh H 2 vxc OK > * gga_x_ityh H 1 exc OK > * gga_x_ityh H 1 vxc OK > * gga_x_ityh Li 2 exc OK > * gga_x_ityh Li 2 vxc OK > * gga_x_ityh Li 1 exc OK > * gga_x_ityh Li 1 vxc OK > * gga_x_ityh_optx BrOH+ 2 exc OK > * gga_x_ityh_optx BrOH+ 2 vxc OK > * gga_x_ityh_optx BrOH+ 1 exc OK > * gga_x_ityh_optx BrOH+ 1 vxc OK > * gga_x_ityh_optx BrOH 2 exc OK > * gga_x_ityh_optx BrOH 2 vxc OK > * gga_x_ityh_optx BrOH 1 exc OK > * gga_x_ityh_optx BrOH 1 vxc OK > * gga_x_ityh_optx H 2 exc OK > * gga_x_ityh_optx H 2 vxc OK > * gga_x_ityh_optx H 1 exc OK > * gga_x_ityh_optx H 1 vxc OK > * gga_x_ityh_optx Li 2 exc OK > * gga_x_ityh_optx Li 2 vxc OK > * gga_x_ityh_optx Li 1 exc OK > * gga_x_ityh_optx Li 1 vxc OK > * gga_x_ityh_pbe BrOH+ 2 exc OK > * gga_x_ityh_pbe BrOH+ 2 vxc OK > * gga_x_ityh_pbe BrOH+ 1 exc OK > * gga_x_ityh_pbe BrOH+ 1 vxc OK > * gga_x_ityh_pbe BrOH 2 exc OK > * gga_x_ityh_pbe BrOH 2 vxc OK > * gga_x_ityh_pbe BrOH 1 exc OK > * gga_x_ityh_pbe BrOH 1 vxc OK > * gga_x_ityh_pbe H 2 exc OK > * gga_x_ityh_pbe H 2 vxc OK > * gga_x_ityh_pbe H 1 exc OK > * gga_x_ityh_pbe H 1 vxc OK > * gga_x_ityh_pbe Li 2 exc OK > * gga_x_ityh_pbe Li 2 vxc OK > * gga_x_ityh_pbe Li 1 exc OK > * gga_x_ityh_pbe Li 1 vxc OK > * gga_x_kgg99 BrOH+ 2 exc OK > * gga_x_kgg99 BrOH+ 2 vxc OK > * gga_x_kgg99 BrOH+ 1 exc OK > * gga_x_kgg99 BrOH+ 1 vxc OK > * gga_x_kgg99 BrOH 2 exc OK > * gga_x_kgg99 BrOH 2 vxc OK > * gga_x_kgg99 BrOH 1 exc OK > * gga_x_kgg99 BrOH 1 vxc OK > * gga_x_kgg99 H 1 exc OK > * gga_x_kgg99 H 1 vxc OK > * gga_x_kgg99 Li 2 exc OK > * gga_x_kgg99 Li 2 vxc OK > * gga_x_kgg99 Li 1 exc OK > * gga_x_kgg99 Li 1 vxc OK > * gga_x_kt1 BrOH+ 2 exc OK > * gga_x_kt1 BrOH+ 2 vxc OK > * gga_x_kt1 BrOH+ 1 exc OK > * gga_x_kt1 BrOH+ 1 vxc OK > * gga_x_kt1 BrOH 2 exc OK > * gga_x_kt1 BrOH 2 vxc OK > * gga_x_kt1 BrOH 1 exc OK > * gga_x_kt1 BrOH 1 vxc OK > * gga_x_kt1 H 2 exc OK > * gga_x_kt1 H 2 vxc OK > * gga_x_kt1 H 1 exc OK > * gga_x_kt1 H 1 vxc OK > * gga_x_kt1 Li 2 exc OK > * gga_x_kt1 Li 2 vxc OK > * gga_x_kt1 Li 1 exc OK > * gga_x_kt1 Li 1 vxc OK > * gga_x_lag BrOH+ 2 exc OK > * gga_x_lag BrOH+ 2 vxc OK > * gga_x_lag BrOH+ 1 exc OK > * gga_x_lag BrOH+ 1 vxc OK > * gga_x_lag BrOH 2 exc OK > * gga_x_lag BrOH 2 vxc OK > * gga_x_lag BrOH 1 exc OK > * gga_x_lag BrOH 1 vxc OK > * gga_x_lag H 2 exc OK > * gga_x_lag H 2 vxc OK > * gga_x_lag H 1 exc OK > * gga_x_lag H 1 vxc OK > * gga_x_lag Li 2 exc OK > * gga_x_lag Li 2 vxc OK > * gga_x_lag Li 1 exc OK > * gga_x_lag Li 1 vxc OK > * gga_x_lambda_ch_n BrOH+ 2 exc OK > * gga_x_lambda_ch_n BrOH+ 2 vxc OK > * gga_x_lambda_ch_n BrOH+ 1 exc OK > * gga_x_lambda_ch_n BrOH+ 1 vxc OK > * gga_x_lambda_ch_n BrOH 2 exc OK > * gga_x_lambda_ch_n BrOH 2 vxc OK > * gga_x_lambda_ch_n BrOH 1 exc OK > * gga_x_lambda_ch_n BrOH 1 vxc OK > * gga_x_lambda_ch_n H 2 exc OK > * gga_x_lambda_ch_n H 2 vxc OK > * gga_x_lambda_ch_n H 1 exc OK > * gga_x_lambda_ch_n H 1 vxc OK > * gga_x_lambda_ch_n Li 2 exc OK > * gga_x_lambda_ch_n Li 2 vxc OK > * gga_x_lambda_ch_n Li 1 exc OK > * gga_x_lambda_ch_n Li 1 vxc OK > * gga_x_lambda_lo_n BrOH+ 2 exc OK > * gga_x_lambda_lo_n BrOH+ 2 vxc OK > * gga_x_lambda_lo_n BrOH+ 1 exc OK > * gga_x_lambda_lo_n BrOH+ 1 vxc OK > * gga_x_lambda_lo_n BrOH 2 exc OK > * gga_x_lambda_lo_n BrOH 2 vxc OK > * gga_x_lambda_lo_n BrOH 1 exc OK > * gga_x_lambda_lo_n BrOH 1 vxc OK > * gga_x_lambda_lo_n H 2 exc OK > * gga_x_lambda_lo_n H 2 vxc OK > * gga_x_lambda_lo_n H 1 exc OK > * gga_x_lambda_lo_n H 1 vxc OK > * gga_x_lambda_lo_n Li 2 exc OK > * gga_x_lambda_lo_n Li 2 vxc OK > * gga_x_lambda_lo_n Li 1 exc OK > * gga_x_lambda_lo_n Li 1 vxc OK > * gga_x_lambda_oc2_n BrOH+ 2 exc OK > * gga_x_lambda_oc2_n BrOH+ 2 vxc OK > * gga_x_lambda_oc2_n BrOH+ 1 exc OK > * gga_x_lambda_oc2_n BrOH+ 1 vxc OK > * gga_x_lambda_oc2_n BrOH 2 exc OK > * gga_x_lambda_oc2_n BrOH 2 vxc OK > * gga_x_lambda_oc2_n BrOH 1 exc OK > * gga_x_lambda_oc2_n BrOH 1 vxc OK > * gga_x_lambda_oc2_n H 2 exc OK > * gga_x_lambda_oc2_n H 2 vxc OK > * gga_x_lambda_oc2_n H 1 exc OK > * gga_x_lambda_oc2_n H 1 vxc OK > * gga_x_lambda_oc2_n Li 2 exc OK > * gga_x_lambda_oc2_n Li 2 vxc OK > * gga_x_lambda_oc2_n Li 1 exc OK > * gga_x_lambda_oc2_n Li 1 vxc OK > * gga_x_lb BrOH+ 2 exc OK > * gga_x_lb BrOH+ 2 vxc OK > * gga_x_lb BrOH+ 2 fxc OK > * gga_x_lb BrOH+ 1 exc OK > * gga_x_lb BrOH+ 1 vxc OK > * gga_x_lb BrOH+ 1 fxc OK > * gga_x_lb BrOH 2 exc OK > * gga_x_lb BrOH 2 vxc OK > * gga_x_lb BrOH 2 fxc OK > * gga_x_lb BrOH 1 exc OK > * gga_x_lb BrOH 1 vxc OK > * gga_x_lb BrOH 1 fxc OK > * gga_x_lb H 2 exc OK > * gga_x_lb H 2 vxc OK > * gga_x_lb H 1 exc OK > * gga_x_lb H 1 vxc OK > * gga_x_lb H 1 fxc OK > * gga_x_lb Li 2 exc OK > * gga_x_lb Li 2 vxc OK > * gga_x_lb Li 1 exc OK > * gga_x_lb Li 1 vxc OK > * gga_x_lbm BrOH+ 2 exc OK > * gga_x_lbm BrOH+ 2 vxc OK > * gga_x_lbm BrOH+ 1 exc OK > * gga_x_lbm BrOH+ 1 vxc OK > * gga_x_lbm BrOH 2 exc OK > * gga_x_lbm BrOH 2 vxc OK > * gga_x_lbm BrOH 1 exc OK > * gga_x_lbm BrOH 1 vxc OK > * gga_x_lbm H 2 exc OK > * gga_x_lbm H 2 vxc OK > * gga_x_lbm H 1 exc OK > * gga_x_lbm H 1 vxc OK > * gga_x_lbm Li 2 exc OK > * gga_x_lbm Li 2 vxc OK > * gga_x_lbm Li 1 exc OK > * gga_x_lbm Li 1 vxc OK > * gga_x_lg93 BrOH+ 2 exc OK > * gga_x_lg93 BrOH+ 2 vxc OK > * gga_x_lg93 BrOH+ 1 exc OK > * gga_x_lg93 BrOH+ 1 vxc OK > * gga_x_lg93 BrOH 2 exc OK > * gga_x_lg93 BrOH 2 vxc OK > * gga_x_lg93 BrOH 1 exc OK > * gga_x_lg93 BrOH 1 vxc OK > * gga_x_lg93 H 2 exc OK > * gga_x_lg93 H 2 vxc OK > * gga_x_lg93 H 1 exc OK > * gga_x_lg93 H 1 vxc OK > * gga_x_lg93 Li 2 exc OK > * gga_x_lg93 Li 2 vxc OK > * gga_x_lg93 Li 1 exc OK > * gga_x_lg93 Li 1 vxc OK > * gga_x_lspbe BrOH+ 2 exc OK > * gga_x_lspbe BrOH+ 2 vxc OK > * gga_x_lspbe BrOH+ 1 exc OK > * gga_x_lspbe BrOH+ 1 vxc OK > * gga_x_lspbe BrOH 2 exc OK > * gga_x_lspbe BrOH 2 vxc OK > * gga_x_lspbe BrOH 1 exc OK > * gga_x_lspbe BrOH 1 vxc OK > * gga_x_lspbe H 2 exc OK > * gga_x_lspbe H 2 vxc OK > * gga_x_lspbe H 1 exc OK > * gga_x_lspbe H 1 vxc OK > * gga_x_lspbe Li 2 exc OK > * gga_x_lspbe Li 2 vxc OK > * gga_x_lspbe Li 1 exc OK > * gga_x_lspbe Li 1 vxc OK > * gga_x_lsrpbe BrOH+ 2 exc OK > * gga_x_lsrpbe BrOH+ 2 vxc OK > * gga_x_lsrpbe BrOH+ 1 exc OK > * gga_x_lsrpbe BrOH+ 1 vxc OK > * gga_x_lsrpbe BrOH 2 exc OK > * gga_x_lsrpbe BrOH 2 vxc OK > * gga_x_lsrpbe BrOH 1 exc OK > * gga_x_lsrpbe BrOH 1 vxc OK > * gga_x_lsrpbe H 2 exc OK > * gga_x_lsrpbe H 2 vxc OK > * gga_x_lsrpbe H 1 exc OK > * gga_x_lsrpbe H 1 vxc OK > * gga_x_lsrpbe Li 2 exc OK > * gga_x_lsrpbe Li 2 vxc OK > * gga_x_lsrpbe Li 1 exc OK > * gga_x_lsrpbe Li 1 vxc OK > * gga_x_lv_rpw86 BrOH+ 2 exc OK > * gga_x_lv_rpw86 BrOH+ 2 vxc OK > * gga_x_lv_rpw86 BrOH+ 1 exc OK > * gga_x_lv_rpw86 BrOH+ 1 vxc OK > * gga_x_lv_rpw86 BrOH 2 exc OK > * gga_x_lv_rpw86 BrOH 2 vxc OK > * gga_x_lv_rpw86 BrOH 1 exc OK > * gga_x_lv_rpw86 BrOH 1 vxc OK > * gga_x_lv_rpw86 H 2 exc OK > * gga_x_lv_rpw86 H 2 vxc OK > * gga_x_lv_rpw86 H 1 exc OK > * gga_x_lv_rpw86 H 1 vxc OK > * gga_x_lv_rpw86 Li 2 exc OK > * gga_x_lv_rpw86 Li 2 vxc OK > * gga_x_lv_rpw86 Li 1 exc OK > * gga_x_lv_rpw86 Li 1 vxc OK > * gga_x_mb88 BrOH+ 2 exc OK > * gga_x_mb88 BrOH+ 2 vxc OK > * gga_x_mb88 BrOH+ 1 exc OK > * gga_x_mb88 BrOH+ 1 vxc OK > * gga_x_mb88 BrOH 2 exc OK > * gga_x_mb88 BrOH 2 vxc OK > * gga_x_mb88 BrOH 1 exc OK > * gga_x_mb88 BrOH 1 vxc OK > * gga_x_mb88 H 2 exc OK > * gga_x_mb88 H 2 vxc OK > * gga_x_mb88 H 1 exc OK > * gga_x_mb88 H 1 vxc OK > * gga_x_mb88 Li 2 exc OK > * gga_x_mb88 Li 2 vxc OK > * gga_x_mb88 Li 1 exc OK > * gga_x_mb88 Li 1 vxc OK > * gga_x_mpbe BrOH+ 2 exc OK > * gga_x_mpbe BrOH+ 2 vxc OK > * gga_x_mpbe BrOH+ 1 exc OK > * gga_x_mpbe BrOH+ 1 vxc OK > * gga_x_mpbe BrOH 2 exc OK > * gga_x_mpbe BrOH 2 vxc OK > * gga_x_mpbe BrOH 1 exc OK > * gga_x_mpbe BrOH 1 vxc OK > * gga_x_mpbe H 2 exc OK > * gga_x_mpbe H 2 vxc OK > * gga_x_mpbe H 1 exc OK > * gga_x_mpbe H 1 vxc OK > * gga_x_mpbe Li 2 exc OK > * gga_x_mpbe Li 2 vxc OK > * gga_x_mpbe Li 1 exc OK > * gga_x_mpbe Li 1 vxc OK > * gga_x_mpw91 BrOH+ 2 exc OK > * gga_x_mpw91 BrOH+ 2 vxc OK > * gga_x_mpw91 BrOH+ 1 exc OK > * gga_x_mpw91 BrOH+ 1 vxc OK > * gga_x_mpw91 BrOH 2 exc OK > * gga_x_mpw91 BrOH 2 vxc OK > * gga_x_mpw91 BrOH 1 exc OK > * gga_x_mpw91 BrOH 1 vxc OK > * gga_x_mpw91 H 2 exc OK > * gga_x_mpw91 H 2 vxc OK > * gga_x_mpw91 H 1 exc OK > * gga_x_mpw91 H 1 vxc OK > * gga_x_mpw91 Li 2 exc OK > * gga_x_mpw91 Li 2 vxc OK > * gga_x_mpw91 Li 1 exc OK > * gga_x_mpw91 Li 1 vxc OK > * gga_x_n12 BrOH+ 2 exc OK > * gga_x_n12 BrOH+ 2 vxc OK > * gga_x_n12 BrOH+ 1 exc OK > * gga_x_n12 BrOH+ 1 vxc OK > * gga_x_n12 BrOH 2 exc OK > * gga_x_n12 BrOH 2 vxc OK > * gga_x_n12 BrOH 1 exc OK > * gga_x_n12 BrOH 1 vxc OK > * gga_x_n12 H 2 exc OK > * gga_x_n12 H 1 exc OK > * gga_x_n12 H 1 vxc OK > * gga_x_n12 Li 2 exc OK > * gga_x_n12 Li 2 vxc OK > * gga_x_n12 Li 1 exc OK > * gga_x_n12 Li 1 vxc OK > * gga_x_ncap BrOH+ 2 exc OK > * gga_x_ncap BrOH+ 2 vxc OK > * gga_x_ncap BrOH+ 1 exc OK > * gga_x_ncap BrOH+ 1 vxc OK > * gga_x_ncap BrOH 2 exc OK > * gga_x_ncap BrOH 2 vxc OK > * gga_x_ncap BrOH 1 exc OK > * gga_x_ncap BrOH 1 vxc OK > * gga_x_ncap H 2 exc OK > * gga_x_ncap H 2 vxc OK > * gga_x_ncap H 1 exc OK > * gga_x_ncap H 1 vxc OK > * gga_x_ncap Li 2 exc OK > * gga_x_ncap Li 2 vxc OK > * gga_x_ncap Li 1 exc OK > * gga_x_ncap Li 1 vxc OK > * gga_x_ol2 BrOH+ 2 exc OK > * gga_x_ol2 BrOH+ 2 vxc OK > * gga_x_ol2 BrOH+ 1 exc OK > * gga_x_ol2 BrOH+ 1 vxc OK > * gga_x_ol2 BrOH 2 exc OK > * gga_x_ol2 BrOH 2 vxc OK > * gga_x_ol2 BrOH 1 exc OK > * gga_x_ol2 BrOH 1 vxc OK > * gga_x_ol2 H 2 exc OK > * gga_x_ol2 H 2 vxc OK > * gga_x_ol2 H 1 exc OK > * gga_x_ol2 H 1 vxc OK > * gga_x_ol2 Li 2 exc OK > * gga_x_ol2 Li 2 vxc OK > * gga_x_ol2 Li 1 exc OK > * gga_x_ol2 Li 1 vxc OK > * gga_x_optb86b_vdw BrOH+ 2 exc OK > * gga_x_optb86b_vdw BrOH+ 2 vxc OK > * gga_x_optb86b_vdw BrOH+ 1 exc OK > * gga_x_optb86b_vdw BrOH+ 1 vxc OK > * gga_x_optb86b_vdw BrOH 2 exc OK > * gga_x_optb86b_vdw BrOH 2 vxc OK > * gga_x_optb86b_vdw BrOH 1 exc OK > * gga_x_optb86b_vdw BrOH 1 vxc OK > * gga_x_optb86b_vdw H 2 exc OK > * gga_x_optb86b_vdw H 2 vxc OK > * gga_x_optb86b_vdw H 1 exc OK > * gga_x_optb86b_vdw H 1 vxc OK > * gga_x_optb86b_vdw Li 2 exc OK > * gga_x_optb86b_vdw Li 2 vxc OK > * gga_x_optb86b_vdw Li 1 exc OK > * gga_x_optb86b_vdw Li 1 vxc OK > * gga_x_optb88_vdw BrOH+ 2 exc OK > * gga_x_optb88_vdw BrOH+ 2 vxc OK > * gga_x_optb88_vdw BrOH+ 1 exc OK > * gga_x_optb88_vdw BrOH+ 1 vxc OK > * gga_x_optb88_vdw BrOH 2 exc OK > * gga_x_optb88_vdw BrOH 2 vxc OK > * gga_x_optb88_vdw BrOH 1 exc OK > * gga_x_optb88_vdw BrOH 1 vxc OK > * gga_x_optb88_vdw H 2 exc OK > * gga_x_optb88_vdw H 2 vxc OK > * gga_x_optb88_vdw H 1 exc OK > * gga_x_optb88_vdw H 1 vxc OK > * gga_x_optb88_vdw Li 2 exc OK > * gga_x_optb88_vdw Li 2 vxc OK > * gga_x_optb88_vdw Li 1 exc OK > * gga_x_optb88_vdw Li 1 vxc OK > * gga_x_optpbe_vdw BrOH+ 2 exc OK > * gga_x_optpbe_vdw BrOH+ 2 vxc OK > * gga_x_optpbe_vdw BrOH+ 1 exc OK > * gga_x_optpbe_vdw BrOH+ 1 vxc OK > * gga_x_optpbe_vdw BrOH 2 exc OK > * gga_x_optpbe_vdw BrOH 2 vxc OK > * gga_x_optpbe_vdw BrOH 1 exc OK > * gga_x_optpbe_vdw BrOH 1 vxc OK > * gga_x_optpbe_vdw H 2 exc OK > * gga_x_optpbe_vdw H 2 vxc OK > * gga_x_optpbe_vdw H 1 exc OK > * gga_x_optpbe_vdw H 1 vxc OK > * gga_x_optpbe_vdw Li 2 exc OK > * gga_x_optpbe_vdw Li 2 vxc OK > * gga_x_optpbe_vdw Li 1 exc OK > * gga_x_optpbe_vdw Li 1 vxc OK > * gga_x_optx BrOH+ 2 exc OK > * gga_x_optx BrOH+ 2 vxc OK > * gga_x_optx BrOH+ 1 exc OK > * gga_x_optx BrOH+ 1 vxc OK > * gga_x_optx BrOH 2 exc OK > * gga_x_optx BrOH 2 vxc OK > * gga_x_optx BrOH 1 exc OK > * gga_x_optx BrOH 1 vxc OK > * gga_x_optx H 2 exc OK > * gga_x_optx H 2 vxc OK > * gga_x_optx H 1 exc OK > * gga_x_optx H 1 vxc OK > * gga_x_optx Li 2 exc OK > * gga_x_optx Li 2 vxc OK > * gga_x_optx Li 1 exc OK > * gga_x_optx Li 1 vxc OK > * gga_x_pbe BrOH+ 2 exc OK > * gga_x_pbe BrOH+ 2 vxc OK > * gga_x_pbe BrOH+ 1 exc OK > * gga_x_pbe BrOH+ 1 vxc OK > * gga_x_pbe BrOH 2 exc OK > * gga_x_pbe BrOH 2 vxc OK > * gga_x_pbe BrOH 1 exc OK > * gga_x_pbe BrOH 1 vxc OK > * gga_x_pbe H 2 exc OK > * gga_x_pbe H 2 vxc OK > * gga_x_pbe H 1 exc OK > * gga_x_pbe H 1 vxc OK > * gga_x_pbe Li 2 exc OK > * gga_x_pbe Li 2 vxc OK > * gga_x_pbe Li 1 exc OK > * gga_x_pbe Li 1 vxc OK > * gga_x_pbe_jsjr BrOH+ 2 exc OK > * gga_x_pbe_jsjr BrOH+ 2 vxc OK > * gga_x_pbe_jsjr BrOH+ 1 exc OK > * gga_x_pbe_jsjr BrOH+ 1 vxc OK > * gga_x_pbe_jsjr BrOH 2 exc OK > * gga_x_pbe_jsjr BrOH 2 vxc OK > * gga_x_pbe_jsjr BrOH 1 exc OK > * gga_x_pbe_jsjr BrOH 1 vxc OK > * gga_x_pbe_jsjr H 2 exc OK > * gga_x_pbe_jsjr H 2 vxc OK > * gga_x_pbe_jsjr H 1 exc OK > * gga_x_pbe_jsjr H 1 vxc OK > * gga_x_pbe_jsjr Li 2 exc OK > * gga_x_pbe_jsjr Li 2 vxc OK > * gga_x_pbe_jsjr Li 1 exc OK > * gga_x_pbe_jsjr Li 1 vxc OK > * gga_x_pbe_mol BrOH+ 2 exc OK > * gga_x_pbe_mol BrOH+ 2 vxc OK > * gga_x_pbe_mol BrOH+ 1 exc OK > * gga_x_pbe_mol BrOH+ 1 vxc OK > * gga_x_pbe_mol BrOH 2 exc OK > * gga_x_pbe_mol BrOH 2 vxc OK > * gga_x_pbe_mol BrOH 1 exc OK > * gga_x_pbe_mol BrOH 1 vxc OK > * gga_x_pbe_mol H 2 exc OK > * gga_x_pbe_mol H 2 vxc OK > * gga_x_pbe_mol H 1 exc OK > * gga_x_pbe_mol H 1 vxc OK > * gga_x_pbe_mol Li 2 exc OK > * gga_x_pbe_mol Li 2 vxc OK > * gga_x_pbe_mol Li 1 exc OK > * gga_x_pbe_mol Li 1 vxc OK > * gga_x_pbe_r BrOH+ 2 exc OK > * gga_x_pbe_r BrOH+ 2 vxc OK > * gga_x_pbe_r BrOH+ 1 exc OK > * gga_x_pbe_r BrOH+ 1 vxc OK > * gga_x_pbe_r BrOH 2 exc OK > * gga_x_pbe_r BrOH 2 vxc OK > * gga_x_pbe_r BrOH 1 exc OK > * gga_x_pbe_r BrOH 1 vxc OK > * gga_x_pbe_r H 2 exc OK > * gga_x_pbe_r H 2 vxc OK > * gga_x_pbe_r H 1 exc OK > * gga_x_pbe_r H 1 vxc OK > * gga_x_pbe_r Li 2 exc OK > * gga_x_pbe_r Li 2 vxc OK > * gga_x_pbe_r Li 1 exc OK > * gga_x_pbe_r Li 1 vxc OK > * gga_x_pbe_sol BrOH+ 2 exc OK > * gga_x_pbe_sol BrOH+ 2 vxc OK > * gga_x_pbe_sol BrOH+ 1 exc OK > * gga_x_pbe_sol BrOH+ 1 vxc OK > * gga_x_pbe_sol BrOH 2 exc OK > * gga_x_pbe_sol BrOH 2 vxc OK > * gga_x_pbe_sol BrOH 1 exc OK > * gga_x_pbe_sol BrOH 1 vxc OK > * gga_x_pbe_sol H 2 exc OK > * gga_x_pbe_sol H 2 vxc OK > * gga_x_pbe_sol H 1 exc OK > * gga_x_pbe_sol H 1 vxc OK > * gga_x_pbe_sol Li 2 exc OK > * gga_x_pbe_sol Li 2 vxc OK > * gga_x_pbe_sol Li 1 exc OK > * gga_x_pbe_sol Li 1 vxc OK > * gga_x_pbe_tca BrOH+ 2 exc OK > * gga_x_pbe_tca BrOH+ 2 vxc OK > * gga_x_pbe_tca BrOH+ 1 exc OK > * gga_x_pbe_tca BrOH+ 1 vxc OK > * gga_x_pbe_tca BrOH 2 exc OK > * gga_x_pbe_tca BrOH 2 vxc OK > * gga_x_pbe_tca BrOH 1 exc OK > * gga_x_pbe_tca BrOH 1 vxc OK > * gga_x_pbe_tca H 2 exc OK > * gga_x_pbe_tca H 2 vxc OK > * gga_x_pbe_tca H 1 exc OK > * gga_x_pbe_tca H 1 vxc OK > * gga_x_pbe_tca Li 2 exc OK > * gga_x_pbe_tca Li 2 vxc OK > * gga_x_pbe_tca Li 1 exc OK > * gga_x_pbe_tca Li 1 vxc OK > * gga_x_pbea BrOH+ 2 exc OK > * gga_x_pbea BrOH+ 2 vxc OK > * gga_x_pbea BrOH+ 1 exc OK > * gga_x_pbea BrOH+ 1 vxc OK > * gga_x_pbea BrOH 2 exc OK > * gga_x_pbea BrOH 2 vxc OK > * gga_x_pbea BrOH 1 exc OK > * gga_x_pbea BrOH 1 vxc OK > * gga_x_pbea H 2 exc OK > * gga_x_pbea H 2 vxc OK > * gga_x_pbea H 1 exc OK > * gga_x_pbea H 1 vxc OK > * gga_x_pbea Li 2 exc OK > * gga_x_pbea Li 2 vxc OK > * gga_x_pbea Li 1 exc OK > * gga_x_pbea Li 1 vxc OK > * gga_x_pbefe BrOH+ 2 exc OK > * gga_x_pbefe BrOH+ 2 vxc OK > * gga_x_pbefe BrOH+ 1 exc OK > * gga_x_pbefe BrOH+ 1 vxc OK > * gga_x_pbefe BrOH 2 exc OK > * gga_x_pbefe BrOH 2 vxc OK > * gga_x_pbefe BrOH 1 exc OK > * gga_x_pbefe BrOH 1 vxc OK > * gga_x_pbefe H 2 exc OK > * gga_x_pbefe H 2 vxc OK > * gga_x_pbefe H 1 exc OK > * gga_x_pbefe H 1 vxc OK > * gga_x_pbefe Li 2 exc OK > * gga_x_pbefe Li 2 vxc OK > * gga_x_pbefe Li 1 exc OK > * gga_x_pbefe Li 1 vxc OK > * gga_x_pbeint BrOH+ 2 exc OK > * gga_x_pbeint BrOH+ 2 vxc OK > * gga_x_pbeint BrOH+ 1 exc OK > * gga_x_pbeint BrOH+ 1 vxc OK > * gga_x_pbeint BrOH 2 exc OK > * gga_x_pbeint BrOH 2 vxc OK > * gga_x_pbeint BrOH 1 exc OK > * gga_x_pbeint BrOH 1 vxc OK > * gga_x_pbeint H 2 exc OK > * gga_x_pbeint H 2 vxc OK > * gga_x_pbeint H 1 exc OK > * gga_x_pbeint H 1 vxc OK > * gga_x_pbeint Li 2 exc OK > * gga_x_pbeint Li 2 vxc OK > * gga_x_pbeint Li 1 exc OK > * gga_x_pbeint Li 1 vxc OK > * gga_x_pbek1_vdw BrOH+ 2 exc OK > * gga_x_pbek1_vdw BrOH+ 2 vxc OK > * gga_x_pbek1_vdw BrOH+ 1 exc OK > * gga_x_pbek1_vdw BrOH+ 1 vxc OK > * gga_x_pbek1_vdw BrOH 2 exc OK > * gga_x_pbek1_vdw BrOH 2 vxc OK > * gga_x_pbek1_vdw BrOH 1 exc OK > * gga_x_pbek1_vdw BrOH 1 vxc OK > * gga_x_pbek1_vdw H 2 exc OK > * gga_x_pbek1_vdw H 2 vxc OK > * gga_x_pbek1_vdw H 1 exc OK > * gga_x_pbek1_vdw H 1 vxc OK > * gga_x_pbek1_vdw Li 2 exc OK > * gga_x_pbek1_vdw Li 2 vxc OK > * gga_x_pbek1_vdw Li 1 exc OK > * gga_x_pbek1_vdw Li 1 vxc OK > * gga_x_pbepow BrOH+ 2 exc OK > * gga_x_pbepow BrOH+ 2 vxc OK > * gga_x_pbepow BrOH+ 1 exc OK > * gga_x_pbepow BrOH+ 1 vxc OK > * gga_x_pbepow BrOH 2 exc OK > * gga_x_pbepow BrOH 2 vxc OK > * gga_x_pbepow BrOH 1 exc OK > * gga_x_pbepow BrOH 1 vxc OK > * gga_x_pbepow H 2 exc OK > * gga_x_pbepow H 2 vxc OK > * gga_x_pbepow H 1 exc OK > * gga_x_pbepow H 1 vxc OK > * gga_x_pbepow Li 2 exc OK > * gga_x_pbepow Li 1 exc OK > * gga_x_pbetrans BrOH+ 2 exc OK > * gga_x_pbetrans BrOH+ 2 vxc OK > * gga_x_pbetrans BrOH+ 1 exc OK > * gga_x_pbetrans BrOH+ 1 vxc OK > * gga_x_pbetrans BrOH 2 exc OK > * gga_x_pbetrans BrOH 2 vxc OK > * gga_x_pbetrans BrOH 1 exc OK > * gga_x_pbetrans BrOH 1 vxc OK > * gga_x_pbetrans H 2 exc OK > * gga_x_pbetrans H 2 vxc OK > * gga_x_pbetrans H 1 exc OK > * gga_x_pbetrans H 1 vxc OK > * gga_x_pbetrans Li 2 exc OK > * gga_x_pbetrans Li 2 vxc OK > * gga_x_pbetrans Li 1 exc OK > * gga_x_pbetrans Li 1 vxc OK > * gga_x_pw86 BrOH+ 2 exc OK > * gga_x_pw86 BrOH+ 2 vxc OK > * gga_x_pw86 BrOH+ 1 exc OK > * gga_x_pw86 BrOH+ 1 vxc OK > * gga_x_pw86 BrOH 2 exc OK > * gga_x_pw86 BrOH 2 vxc OK > * gga_x_pw86 BrOH 1 exc OK > * gga_x_pw86 BrOH 1 vxc OK > * gga_x_pw86 H 2 exc OK > * gga_x_pw86 H 2 vxc OK > * gga_x_pw86 H 1 exc OK > * gga_x_pw86 H 1 vxc OK > * gga_x_pw86 Li 2 exc OK > * gga_x_pw86 Li 2 vxc OK > * gga_x_pw86 Li 1 exc OK > * gga_x_pw86 Li 1 vxc OK > * gga_x_pw91 BrOH+ 2 exc OK > * gga_x_pw91 BrOH+ 2 vxc OK > * gga_x_pw91 BrOH+ 1 exc OK > * gga_x_pw91 BrOH+ 1 vxc OK > * gga_x_pw91 BrOH 2 exc OK > * gga_x_pw91 BrOH 2 vxc OK > * gga_x_pw91 BrOH 1 exc OK > * gga_x_pw91 BrOH 1 vxc OK > * gga_x_pw91 H 2 exc OK > * gga_x_pw91 H 2 vxc OK > * gga_x_pw91 H 1 exc OK > * gga_x_pw91 H 1 vxc OK > * gga_x_pw91 Li 2 exc OK > * gga_x_pw91 Li 2 vxc OK > * gga_x_pw91 Li 1 exc OK > * gga_x_pw91 Li 1 vxc OK > * gga_x_pw91_mod BrOH+ 2 exc OK > * gga_x_pw91_mod BrOH+ 2 vxc OK > * gga_x_pw91_mod BrOH+ 1 exc OK > * gga_x_pw91_mod BrOH+ 1 vxc OK > * gga_x_pw91_mod BrOH 2 exc OK > * gga_x_pw91_mod BrOH 2 vxc OK > * gga_x_pw91_mod BrOH 1 exc OK > * gga_x_pw91_mod BrOH 1 vxc OK > * gga_x_pw91_mod H 2 exc OK > * gga_x_pw91_mod H 2 vxc OK > * gga_x_pw91_mod H 1 exc OK > * gga_x_pw91_mod H 1 vxc OK > * gga_x_pw91_mod Li 2 exc OK > * gga_x_pw91_mod Li 2 vxc OK > * gga_x_pw91_mod Li 1 exc OK > * gga_x_pw91_mod Li 1 vxc OK > * gga_x_q1d BrOH+ 2 exc OK > * gga_x_q1d BrOH+ 2 vxc OK > * gga_x_q1d BrOH+ 1 exc OK > * gga_x_q1d BrOH+ 1 vxc OK > * gga_x_q1d BrOH 2 exc OK > * gga_x_q1d BrOH 2 vxc OK > * gga_x_q1d BrOH 1 exc OK > * gga_x_q1d BrOH 1 vxc OK > * gga_x_q1d H 2 exc OK > * gga_x_q1d H 2 vxc OK > * gga_x_q1d H 1 exc OK > * gga_x_q1d H 1 vxc OK > * gga_x_q1d Li 2 exc OK > * gga_x_q1d Li 2 vxc OK > * gga_x_q1d Li 1 exc OK > * gga_x_q1d Li 1 vxc OK > * gga_x_q2d BrOH+ 2 exc OK > * gga_x_q2d BrOH+ 2 vxc OK > * gga_x_q2d BrOH+ 1 exc OK > * gga_x_q2d BrOH+ 1 vxc OK > * gga_x_q2d BrOH 2 exc OK > * gga_x_q2d BrOH 2 vxc OK > * gga_x_q2d BrOH 1 exc OK > * gga_x_q2d BrOH 1 vxc OK > * gga_x_q2d H 2 exc OK > * gga_x_q2d H 2 vxc OK > * gga_x_q2d H 1 exc OK > * gga_x_q2d H 1 vxc OK > * gga_x_q2d Li 2 exc OK > * gga_x_q2d Li 2 vxc OK > * gga_x_q2d Li 1 exc OK > * gga_x_q2d Li 1 vxc OK > * gga_x_revssb_d BrOH+ 2 exc OK > * gga_x_revssb_d BrOH+ 2 vxc OK > * gga_x_revssb_d BrOH+ 1 exc OK > * gga_x_revssb_d BrOH+ 1 vxc OK > * gga_x_revssb_d BrOH 2 exc OK > * gga_x_revssb_d BrOH 2 vxc OK > * gga_x_revssb_d BrOH 1 exc OK > * gga_x_revssb_d BrOH 1 vxc OK > * gga_x_revssb_d H 2 exc OK > * gga_x_revssb_d H 2 vxc OK > * gga_x_revssb_d H 1 exc OK > * gga_x_revssb_d H 1 vxc OK > * gga_x_revssb_d Li 2 exc OK > * gga_x_revssb_d Li 2 vxc OK > * gga_x_revssb_d Li 1 exc OK > * gga_x_revssb_d Li 1 vxc OK > * gga_x_rge2 BrOH+ 2 exc OK > * gga_x_rge2 BrOH+ 2 vxc OK > * gga_x_rge2 BrOH+ 1 exc OK > * gga_x_rge2 BrOH+ 1 vxc OK > * gga_x_rge2 BrOH 2 exc OK > * gga_x_rge2 BrOH 2 vxc OK > * gga_x_rge2 BrOH 1 exc OK > * gga_x_rge2 BrOH 1 vxc OK > * gga_x_rge2 H 2 exc OK > * gga_x_rge2 H 2 vxc OK > * gga_x_rge2 H 1 exc OK > * gga_x_rge2 H 1 vxc OK > * gga_x_rge2 Li 2 exc OK > * gga_x_rge2 Li 2 vxc OK > * gga_x_rge2 Li 1 exc OK > * gga_x_rge2 Li 1 vxc OK > * gga_x_rpbe BrOH+ 2 exc OK > * gga_x_rpbe BrOH+ 2 vxc OK > * gga_x_rpbe BrOH+ 1 exc OK > * gga_x_rpbe BrOH+ 1 vxc OK > * gga_x_rpbe BrOH 2 exc OK > * gga_x_rpbe BrOH 2 vxc OK > * gga_x_rpbe BrOH 1 exc OK > * gga_x_rpbe BrOH 1 vxc OK > * gga_x_rpbe H 2 exc OK > * gga_x_rpbe H 2 vxc OK > * gga_x_rpbe H 1 exc OK > * gga_x_rpbe H 1 vxc OK > * gga_x_rpbe Li 2 exc OK > * gga_x_rpbe Li 2 vxc OK > * gga_x_rpbe Li 1 exc OK > * gga_x_rpbe Li 1 vxc OK > * gga_x_rpw86 BrOH+ 2 exc OK > * gga_x_rpw86 BrOH+ 2 vxc OK > * gga_x_rpw86 BrOH+ 1 exc OK > * gga_x_rpw86 BrOH+ 1 vxc OK > * gga_x_rpw86 BrOH 2 exc OK > * gga_x_rpw86 BrOH 2 vxc OK > * gga_x_rpw86 BrOH 1 exc OK > * gga_x_rpw86 BrOH 1 vxc OK > * gga_x_rpw86 H 2 exc OK > * gga_x_rpw86 H 2 vxc OK > * gga_x_rpw86 H 1 exc OK > * gga_x_rpw86 H 1 vxc OK > * gga_x_rpw86 Li 2 exc OK > * gga_x_rpw86 Li 2 vxc OK > * gga_x_rpw86 Li 1 exc OK > * gga_x_rpw86 Li 1 vxc OK > * gga_x_s12g BrOH+ 2 exc OK > * gga_x_s12g BrOH+ 2 vxc OK > * gga_x_s12g BrOH+ 1 exc OK > * gga_x_s12g BrOH+ 1 vxc OK > * gga_x_s12g BrOH 2 exc OK > * gga_x_s12g BrOH 2 vxc OK > * gga_x_s12g BrOH 1 exc OK > * gga_x_s12g BrOH 1 vxc OK > * gga_x_s12g H 2 exc OK > * gga_x_s12g H 2 vxc OK > * gga_x_s12g H 1 exc OK > * gga_x_s12g H 1 vxc OK > * gga_x_s12g Li 2 exc OK > * gga_x_s12g Li 2 vxc OK > * gga_x_s12g Li 1 exc OK > * gga_x_s12g Li 1 vxc OK > * gga_x_sfat BrOH+ 2 exc OK > * gga_x_sfat BrOH+ 1 exc OK > * gga_x_sfat BrOH 2 exc OK > * gga_x_sfat BrOH 1 exc OK > * gga_x_sfat BrOH 1 vxc OK > * gga_x_sfat H 2 exc OK > * gga_x_sfat H 2 vxc OK > * gga_x_sfat H 1 exc OK > * gga_x_sfat H 1 vxc OK > * gga_x_sfat Li 2 exc OK > * gga_x_sfat Li 1 exc OK > * gga_x_sfat_pbe BrOH+ 2 exc OK > * gga_x_sfat_pbe BrOH+ 2 vxc OK > * gga_x_sfat_pbe BrOH+ 1 exc OK > * gga_x_sfat_pbe BrOH+ 1 vxc OK > * gga_x_sfat_pbe BrOH 2 exc OK > * gga_x_sfat_pbe BrOH 2 vxc OK > * gga_x_sfat_pbe BrOH 1 exc OK > * gga_x_sfat_pbe BrOH 1 vxc OK > * gga_x_sfat_pbe H 2 exc OK > * gga_x_sfat_pbe H 2 vxc OK > * gga_x_sfat_pbe H 1 exc OK > * gga_x_sfat_pbe H 1 vxc OK > * gga_x_sfat_pbe Li 2 exc OK > * gga_x_sfat_pbe Li 2 vxc OK > * gga_x_sfat_pbe Li 1 exc OK > * gga_x_sfat_pbe Li 1 vxc OK > * gga_x_sg4 BrOH+ 2 exc OK > * gga_x_sg4 BrOH+ 2 vxc OK > * gga_x_sg4 BrOH+ 1 exc OK > * gga_x_sg4 BrOH+ 1 vxc OK > * gga_x_sg4 BrOH 2 exc OK > * gga_x_sg4 BrOH 2 vxc OK > * gga_x_sg4 BrOH 1 exc OK > * gga_x_sg4 BrOH 1 vxc OK > * gga_x_sg4 H 2 exc OK > * gga_x_sg4 H 2 vxc OK > * gga_x_sg4 H 1 exc OK > * gga_x_sg4 H 1 vxc OK > * gga_x_sg4 Li 2 exc OK > * gga_x_sg4 Li 2 vxc OK > * gga_x_sg4 Li 1 exc OK > * gga_x_sg4 Li 1 vxc OK > * gga_x_sogga BrOH+ 2 exc OK > * gga_x_sogga BrOH+ 2 vxc OK > * gga_x_sogga BrOH+ 1 exc OK > * gga_x_sogga BrOH+ 1 vxc OK > * gga_x_sogga BrOH 2 exc OK > * gga_x_sogga BrOH 2 vxc OK > * gga_x_sogga BrOH 1 exc OK > * gga_x_sogga BrOH 1 vxc OK > * gga_x_sogga H 2 exc OK > * gga_x_sogga H 2 vxc OK > * gga_x_sogga H 1 exc OK > * gga_x_sogga H 1 vxc OK > * gga_x_sogga Li 2 exc OK > * gga_x_sogga Li 2 vxc OK > * gga_x_sogga Li 1 exc OK > * gga_x_sogga Li 1 vxc OK > * gga_x_sogga11 BrOH+ 2 exc OK > * gga_x_sogga11 BrOH+ 2 vxc OK > * gga_x_sogga11 BrOH+ 1 exc OK > * gga_x_sogga11 BrOH+ 1 vxc OK > * gga_x_sogga11 BrOH 2 exc OK > * gga_x_sogga11 BrOH 2 vxc OK > * gga_x_sogga11 BrOH 1 exc OK > * gga_x_sogga11 BrOH 1 vxc OK > * gga_x_sogga11 H 2 exc OK > * gga_x_sogga11 H 2 vxc OK > * gga_x_sogga11 H 1 exc OK > * gga_x_sogga11 H 1 vxc OK > * gga_x_sogga11 Li 2 exc OK > * gga_x_sogga11 Li 2 vxc OK > * gga_x_sogga11 Li 1 exc OK > * gga_x_sogga11 Li 1 vxc OK > * gga_x_ssb BrOH+ 2 exc OK > * gga_x_ssb BrOH+ 2 vxc OK > * gga_x_ssb BrOH+ 1 exc OK > * gga_x_ssb BrOH+ 1 vxc OK > * gga_x_ssb BrOH 2 exc OK > * gga_x_ssb BrOH 2 vxc OK > * gga_x_ssb BrOH 1 exc OK > * gga_x_ssb BrOH 1 vxc OK > * gga_x_ssb H 2 exc OK > * gga_x_ssb H 2 vxc OK > * gga_x_ssb H 1 exc OK > * gga_x_ssb H 1 vxc OK > * gga_x_ssb Li 2 exc OK > * gga_x_ssb Li 2 vxc OK > * gga_x_ssb Li 1 exc OK > * gga_x_ssb Li 1 vxc OK > * gga_x_ssb_d BrOH+ 2 exc OK > * gga_x_ssb_d BrOH+ 2 vxc OK > * gga_x_ssb_d BrOH+ 1 exc OK > * gga_x_ssb_d BrOH+ 1 vxc OK > * gga_x_ssb_d BrOH 2 exc OK > * gga_x_ssb_d BrOH 2 vxc OK > * gga_x_ssb_d BrOH 1 exc OK > * gga_x_ssb_d BrOH 1 vxc OK > * gga_x_ssb_d H 2 exc OK > * gga_x_ssb_d H 2 vxc OK > * gga_x_ssb_d H 1 exc OK > * gga_x_ssb_d H 1 vxc OK > * gga_x_ssb_d Li 2 exc OK > * gga_x_ssb_d Li 2 vxc OK > * gga_x_ssb_d Li 1 exc OK > * gga_x_ssb_d Li 1 vxc OK > * gga_x_ssb_sw BrOH+ 2 exc OK > * gga_x_ssb_sw BrOH+ 2 vxc OK > * gga_x_ssb_sw BrOH+ 1 exc OK > * gga_x_ssb_sw BrOH+ 1 vxc OK > * gga_x_ssb_sw BrOH 2 exc OK > * gga_x_ssb_sw BrOH 2 vxc OK > * gga_x_ssb_sw BrOH 1 exc OK > * gga_x_ssb_sw BrOH 1 vxc OK > * gga_x_ssb_sw H 2 exc OK > * gga_x_ssb_sw H 2 vxc OK > * gga_x_ssb_sw H 1 exc OK > * gga_x_ssb_sw H 1 vxc OK > * gga_x_ssb_sw Li 2 exc OK > * gga_x_ssb_sw Li 2 vxc OK > * gga_x_ssb_sw Li 1 exc OK > * gga_x_ssb_sw Li 1 vxc OK > * gga_x_vmt84_ge BrOH+ 2 exc OK > * gga_x_vmt84_ge BrOH+ 2 vxc OK > * gga_x_vmt84_ge BrOH+ 1 exc OK > * gga_x_vmt84_ge BrOH+ 1 vxc OK > * gga_x_vmt84_ge BrOH 2 exc OK > * gga_x_vmt84_ge BrOH 2 vxc OK > * gga_x_vmt84_ge BrOH 1 exc OK > * gga_x_vmt84_ge BrOH 1 vxc OK > * gga_x_vmt84_ge H 2 exc OK > * gga_x_vmt84_ge H 2 vxc OK > * gga_x_vmt84_ge H 1 exc OK > * gga_x_vmt84_ge H 1 vxc OK > * gga_x_vmt84_ge Li 2 exc OK > * gga_x_vmt84_ge Li 2 vxc OK > * gga_x_vmt84_ge Li 1 exc OK > * gga_x_vmt84_ge Li 1 vxc OK > * gga_x_vmt84_pbe BrOH+ 2 exc OK > * gga_x_vmt84_pbe BrOH+ 2 vxc OK > * gga_x_vmt84_pbe BrOH+ 1 exc OK > * gga_x_vmt84_pbe BrOH+ 1 vxc OK > * gga_x_vmt84_pbe BrOH 2 exc OK > * gga_x_vmt84_pbe BrOH 2 vxc OK > * gga_x_vmt84_pbe BrOH 1 exc OK > * gga_x_vmt84_pbe BrOH 1 vxc OK > * gga_x_vmt84_pbe H 2 exc OK > * gga_x_vmt84_pbe H 2 vxc OK > * gga_x_vmt84_pbe H 1 exc OK > * gga_x_vmt84_pbe H 1 vxc OK > * gga_x_vmt84_pbe Li 2 exc OK > * gga_x_vmt84_pbe Li 2 vxc OK > * gga_x_vmt84_pbe Li 1 exc OK > * gga_x_vmt84_pbe Li 1 vxc OK > * gga_x_vmt_ge BrOH+ 2 exc OK > * gga_x_vmt_ge BrOH+ 2 vxc OK > * gga_x_vmt_ge BrOH+ 1 exc OK > * gga_x_vmt_ge BrOH+ 1 vxc OK > * gga_x_vmt_ge BrOH 2 exc OK > * gga_x_vmt_ge BrOH 2 vxc OK > * gga_x_vmt_ge BrOH 1 exc OK > * gga_x_vmt_ge BrOH 1 vxc OK > * gga_x_vmt_ge H 2 exc OK > * gga_x_vmt_ge H 2 vxc OK > * gga_x_vmt_ge H 1 exc OK > * gga_x_vmt_ge H 1 vxc OK > * gga_x_vmt_ge Li 2 exc OK > * gga_x_vmt_ge Li 2 vxc OK > * gga_x_vmt_ge Li 1 exc OK > * gga_x_vmt_ge Li 1 vxc OK > * gga_x_vmt_pbe BrOH+ 2 exc OK > * gga_x_vmt_pbe BrOH+ 2 vxc OK > * gga_x_vmt_pbe BrOH+ 1 exc OK > * gga_x_vmt_pbe BrOH+ 1 vxc OK > * gga_x_vmt_pbe BrOH 2 exc OK > * gga_x_vmt_pbe BrOH 2 vxc OK > * gga_x_vmt_pbe BrOH 1 exc OK > * gga_x_vmt_pbe BrOH 1 vxc OK > * gga_x_vmt_pbe H 2 exc OK > * gga_x_vmt_pbe H 2 vxc OK > * gga_x_vmt_pbe H 1 exc OK > * gga_x_vmt_pbe H 1 vxc OK > * gga_x_vmt_pbe Li 2 exc OK > * gga_x_vmt_pbe Li 2 vxc OK > * gga_x_vmt_pbe Li 1 exc OK > * gga_x_vmt_pbe Li 1 vxc OK > * gga_x_wc BrOH+ 2 exc OK > * gga_x_wc BrOH+ 2 vxc OK > * gga_x_wc BrOH+ 1 exc OK > * gga_x_wc BrOH+ 1 vxc OK > * gga_x_wc BrOH 2 exc OK > * gga_x_wc BrOH 2 vxc OK > * gga_x_wc BrOH 1 exc OK > * gga_x_wc BrOH 1 vxc OK > * gga_x_wc H 2 exc OK > * gga_x_wc H 2 vxc OK > * gga_x_wc H 1 exc OK > * gga_x_wc H 1 vxc OK > * gga_x_wc Li 2 exc OK > * gga_x_wc Li 2 vxc OK > * gga_x_wc Li 1 exc OK > * gga_x_wc Li 1 vxc OK > * gga_x_wpbeh BrOH+ 2 exc OK > * gga_x_wpbeh BrOH+ 2 vxc OK > * gga_x_wpbeh BrOH+ 1 exc OK > * gga_x_wpbeh BrOH+ 1 vxc OK > * gga_x_wpbeh BrOH 2 exc OK > * gga_x_wpbeh BrOH 2 vxc OK > * gga_x_wpbeh BrOH 1 exc OK > * gga_x_wpbeh BrOH 1 vxc OK > * gga_x_wpbeh H 2 exc OK > * gga_x_wpbeh H 2 vxc OK > * gga_x_wpbeh H 1 exc OK > * gga_x_wpbeh H 1 vxc OK > * gga_x_wpbeh Li 2 exc OK > * gga_x_wpbeh Li 2 vxc OK > * gga_x_wpbeh Li 1 exc OK > * gga_x_wpbeh Li 1 vxc OK > * gga_x_xpbe BrOH+ 2 exc OK > * gga_x_xpbe BrOH+ 2 vxc OK > * gga_x_xpbe BrOH+ 1 exc OK > * gga_x_xpbe BrOH+ 1 vxc OK > * gga_x_xpbe BrOH 2 exc OK > * gga_x_xpbe BrOH 2 vxc OK > * gga_x_xpbe BrOH 1 exc OK > * gga_x_xpbe BrOH 1 vxc OK > * gga_x_xpbe H 2 exc OK > * gga_x_xpbe H 2 vxc OK > * gga_x_xpbe H 1 exc OK > * gga_x_xpbe H 1 vxc OK > * gga_x_xpbe Li 2 exc OK > * gga_x_xpbe Li 2 vxc OK > * gga_x_xpbe Li 1 exc OK > * gga_x_xpbe Li 1 vxc OK > * gga_xc_b97_d BrOH+ 2 exc OK > * gga_xc_b97_d BrOH+ 2 vxc OK > * gga_xc_b97_d BrOH+ 1 exc OK > * gga_xc_b97_d BrOH+ 1 vxc OK > * gga_xc_b97_d BrOH 2 exc OK > * gga_xc_b97_d BrOH 2 vxc OK > * gga_xc_b97_d BrOH 1 exc OK > * gga_xc_b97_d BrOH 1 vxc OK > * gga_xc_b97_d H 2 exc OK > * gga_xc_b97_d H 1 exc OK > * gga_xc_b97_d H 1 vxc OK > * gga_xc_b97_d Li 2 exc OK > * gga_xc_b97_d Li 2 vxc OK > * gga_xc_b97_d Li 1 exc OK > * gga_xc_b97_d Li 1 vxc OK > * gga_xc_b97_gga1 BrOH+ 2 exc OK > * gga_xc_b97_gga1 BrOH+ 2 vxc OK > * gga_xc_b97_gga1 BrOH+ 1 exc OK > * gga_xc_b97_gga1 BrOH+ 1 vxc OK > * gga_xc_b97_gga1 BrOH 2 exc OK > * gga_xc_b97_gga1 BrOH 2 vxc OK > * gga_xc_b97_gga1 BrOH 1 exc OK > * gga_xc_b97_gga1 BrOH 1 vxc OK > * gga_xc_b97_gga1 H 2 exc OK > * gga_xc_b97_gga1 H 1 exc OK > * gga_xc_b97_gga1 H 1 vxc OK > * gga_xc_b97_gga1 Li 2 exc OK > * gga_xc_b97_gga1 Li 2 vxc OK > * gga_xc_b97_gga1 Li 1 exc OK > * gga_xc_b97_gga1 Li 1 vxc OK > * gga_xc_beefvdw BrOH+ 2 exc OK > * gga_xc_beefvdw BrOH+ 2 vxc OK > * gga_xc_beefvdw BrOH+ 1 exc OK > * gga_xc_beefvdw BrOH+ 1 vxc OK > * gga_xc_beefvdw BrOH 2 exc OK > * gga_xc_beefvdw BrOH 2 vxc OK > * gga_xc_beefvdw BrOH 1 exc OK > * gga_xc_beefvdw BrOH 1 vxc OK > * gga_xc_beefvdw H 2 exc OK > * gga_xc_beefvdw H 2 vxc OK > * gga_xc_beefvdw H 1 exc OK > * gga_xc_beefvdw H 1 vxc OK > * gga_xc_beefvdw Li 2 exc OK > * gga_xc_beefvdw Li 2 vxc OK > * gga_xc_beefvdw Li 1 exc OK > * gga_xc_beefvdw Li 1 vxc OK > * gga_xc_edf1 BrOH+ 2 exc OK > * gga_xc_edf1 BrOH+ 2 vxc OK > * gga_xc_edf1 BrOH+ 1 exc OK > * gga_xc_edf1 BrOH+ 1 vxc OK > * gga_xc_edf1 BrOH 2 exc OK > * gga_xc_edf1 BrOH 2 vxc OK > * gga_xc_edf1 BrOH 1 exc OK > * gga_xc_edf1 BrOH 1 vxc OK > * gga_xc_edf1 H 1 exc OK > * gga_xc_edf1 H 1 vxc OK > * gga_xc_edf1 Li 2 exc OK > * gga_xc_edf1 Li 2 vxc OK > * gga_xc_edf1 Li 1 exc OK > * gga_xc_edf1 Li 1 vxc OK > * gga_xc_hcth_120 BrOH+ 2 exc OK > * gga_xc_hcth_120 BrOH+ 2 vxc OK > * gga_xc_hcth_120 BrOH+ 1 exc OK > * gga_xc_hcth_120 BrOH+ 1 vxc OK > * gga_xc_hcth_120 BrOH 2 exc OK > * gga_xc_hcth_120 BrOH 2 vxc OK > * gga_xc_hcth_120 BrOH 1 exc OK > * gga_xc_hcth_120 BrOH 1 vxc OK > * gga_xc_hcth_120 H 2 exc OK > * gga_xc_hcth_120 H 1 exc OK > * gga_xc_hcth_120 H 1 vxc OK > * gga_xc_hcth_120 Li 2 exc OK > * gga_xc_hcth_120 Li 2 vxc OK > * gga_xc_hcth_120 Li 1 exc OK > * gga_xc_hcth_120 Li 1 vxc OK > * gga_xc_hcth_147 BrOH+ 2 exc OK > * gga_xc_hcth_147 BrOH+ 2 vxc OK > * gga_xc_hcth_147 BrOH+ 1 exc OK > * gga_xc_hcth_147 BrOH+ 1 vxc OK > * gga_xc_hcth_147 BrOH 2 exc OK > * gga_xc_hcth_147 BrOH 2 vxc OK > * gga_xc_hcth_147 BrOH 1 exc OK > * gga_xc_hcth_147 BrOH 1 vxc OK > * gga_xc_hcth_147 H 2 exc OK > * gga_xc_hcth_147 H 1 exc OK > * gga_xc_hcth_147 H 1 vxc OK > * gga_xc_hcth_147 Li 2 exc OK > * gga_xc_hcth_147 Li 2 vxc OK > * gga_xc_hcth_147 Li 1 exc OK > * gga_xc_hcth_147 Li 1 vxc OK > * gga_xc_hcth_407 BrOH+ 2 exc OK > * gga_xc_hcth_407 BrOH+ 2 vxc OK > * gga_xc_hcth_407 BrOH+ 1 exc OK > * gga_xc_hcth_407 BrOH+ 1 vxc OK > * gga_xc_hcth_407 BrOH 2 exc OK > * gga_xc_hcth_407 BrOH 2 vxc OK > * gga_xc_hcth_407 BrOH 1 exc OK > * gga_xc_hcth_407 BrOH 1 vxc OK > * gga_xc_hcth_407 H 2 exc OK > * gga_xc_hcth_407 H 1 exc OK > * gga_xc_hcth_407 H 1 vxc OK > * gga_xc_hcth_407 Li 2 exc OK > * gga_xc_hcth_407 Li 2 vxc OK > * gga_xc_hcth_407 Li 1 exc OK > * gga_xc_hcth_407 Li 1 vxc OK > * gga_xc_hcth_407p BrOH+ 2 exc OK > * gga_xc_hcth_407p BrOH+ 2 vxc OK > * gga_xc_hcth_407p BrOH+ 1 exc OK > * gga_xc_hcth_407p BrOH+ 1 vxc OK > * gga_xc_hcth_407p BrOH 2 exc OK > * gga_xc_hcth_407p BrOH 2 vxc OK > * gga_xc_hcth_407p BrOH 1 exc OK > * gga_xc_hcth_407p BrOH 1 vxc OK > * gga_xc_hcth_407p H 2 exc OK > * gga_xc_hcth_407p H 1 exc OK > * gga_xc_hcth_407p H 1 vxc OK > * gga_xc_hcth_407p Li 2 exc OK > * gga_xc_hcth_407p Li 2 vxc OK > * gga_xc_hcth_407p Li 1 exc OK > * gga_xc_hcth_407p Li 1 vxc OK > * gga_xc_hcth_93 BrOH+ 2 exc OK > * gga_xc_hcth_93 BrOH+ 2 vxc OK > * gga_xc_hcth_93 BrOH+ 1 exc OK > * gga_xc_hcth_93 BrOH+ 1 vxc OK > * gga_xc_hcth_93 BrOH 2 exc OK > * gga_xc_hcth_93 BrOH 2 vxc OK > * gga_xc_hcth_93 BrOH 1 exc OK > * gga_xc_hcth_93 BrOH 1 vxc OK > * gga_xc_hcth_93 H 2 exc OK > * gga_xc_hcth_93 H 1 exc OK > * gga_xc_hcth_93 H 1 vxc OK > * gga_xc_hcth_93 Li 2 exc OK > * gga_xc_hcth_93 Li 2 vxc OK > * gga_xc_hcth_93 Li 1 exc OK > * gga_xc_hcth_93 Li 1 vxc OK > * gga_xc_hcth_p14 BrOH+ 2 exc OK > * gga_xc_hcth_p14 BrOH+ 2 vxc OK > * gga_xc_hcth_p14 BrOH+ 1 exc OK > * gga_xc_hcth_p14 BrOH+ 1 vxc OK > * gga_xc_hcth_p14 BrOH 2 exc OK > * gga_xc_hcth_p14 BrOH 2 vxc OK > * gga_xc_hcth_p14 BrOH 1 exc OK > * gga_xc_hcth_p14 BrOH 1 vxc OK > * gga_xc_hcth_p14 H 2 exc OK > * gga_xc_hcth_p14 H 1 exc OK > * gga_xc_hcth_p14 H 1 vxc OK > * gga_xc_hcth_p14 Li 2 exc OK > * gga_xc_hcth_p14 Li 2 vxc OK > * gga_xc_hcth_p14 Li 1 exc OK > * gga_xc_hcth_p14 Li 1 vxc OK > * gga_xc_hcth_p76 BrOH+ 2 exc OK > * gga_xc_hcth_p76 BrOH+ 2 vxc OK > * gga_xc_hcth_p76 BrOH+ 1 exc OK > * gga_xc_hcth_p76 BrOH+ 1 vxc OK > * gga_xc_hcth_p76 BrOH 2 exc OK > * gga_xc_hcth_p76 BrOH 2 vxc OK > * gga_xc_hcth_p76 BrOH 1 exc OK > * gga_xc_hcth_p76 BrOH 1 vxc OK > * gga_xc_hcth_p76 H 2 exc OK > * gga_xc_hcth_p76 H 1 exc OK > * gga_xc_hcth_p76 H 1 vxc OK > * gga_xc_hcth_p76 Li 2 exc OK > * gga_xc_hcth_p76 Li 2 vxc OK > * gga_xc_hcth_p76 Li 1 exc OK > * gga_xc_hcth_p76 Li 1 vxc OK > * gga_xc_hle16 BrOH+ 2 exc OK > * gga_xc_hle16 BrOH+ 2 vxc OK > * gga_xc_hle16 BrOH+ 1 exc OK > * gga_xc_hle16 BrOH+ 1 vxc OK > * gga_xc_hle16 BrOH 2 exc OK > * gga_xc_hle16 BrOH 2 vxc OK > * gga_xc_hle16 BrOH 1 exc OK > * gga_xc_hle16 BrOH 1 vxc OK > * gga_xc_hle16 H 2 exc OK > * gga_xc_hle16 H 1 exc OK > * gga_xc_hle16 H 1 vxc OK > * gga_xc_hle16 Li 2 exc OK > * gga_xc_hle16 Li 2 vxc OK > * gga_xc_hle16 Li 1 exc OK > * gga_xc_hle16 Li 1 vxc OK > * gga_xc_kt1 BrOH+ 2 exc OK > * gga_xc_kt1 BrOH+ 2 vxc OK > * gga_xc_kt1 BrOH+ 1 exc OK > * gga_xc_kt1 BrOH+ 1 vxc OK > * gga_xc_kt1 BrOH 2 exc OK > * gga_xc_kt1 BrOH 2 vxc OK > * gga_xc_kt1 BrOH 1 exc OK > * gga_xc_kt1 BrOH 1 vxc OK > * gga_xc_kt1 H 2 exc OK > * gga_xc_kt1 H 2 vxc OK > * gga_xc_kt1 H 1 exc OK > * gga_xc_kt1 H 1 vxc OK > * gga_xc_kt1 Li 2 exc OK > * gga_xc_kt1 Li 2 vxc OK > * gga_xc_kt1 Li 1 exc OK > * gga_xc_kt1 Li 1 vxc OK > * gga_xc_kt2 BrOH+ 2 exc OK > * gga_xc_kt2 BrOH+ 2 vxc OK > * gga_xc_kt2 BrOH+ 1 exc OK > * gga_xc_kt2 BrOH+ 1 vxc OK > * gga_xc_kt2 BrOH 2 exc OK > * gga_xc_kt2 BrOH 2 vxc OK > * gga_xc_kt2 BrOH 1 exc OK > * gga_xc_kt2 BrOH 1 vxc OK > * gga_xc_kt2 H 2 exc OK > * gga_xc_kt2 H 2 vxc OK > * gga_xc_kt2 H 1 exc OK > * gga_xc_kt2 H 1 vxc OK > * gga_xc_kt2 Li 2 exc OK > * gga_xc_kt2 Li 2 vxc OK > * gga_xc_kt2 Li 1 exc OK > * gga_xc_kt2 Li 1 vxc OK > * gga_xc_kt3 BrOH+ 2 exc OK > * gga_xc_kt3 BrOH+ 2 vxc OK > * gga_xc_kt3 BrOH+ 1 exc OK > * gga_xc_kt3 BrOH+ 1 vxc OK > * gga_xc_kt3 BrOH 2 exc OK > * gga_xc_kt3 BrOH 2 vxc OK > * gga_xc_kt3 BrOH 1 exc OK > * gga_xc_kt3 BrOH 1 vxc OK > * gga_xc_kt3 H 1 exc OK > * gga_xc_kt3 H 1 vxc OK > * gga_xc_kt3 Li 2 exc OK > * gga_xc_kt3 Li 2 vxc OK > * gga_xc_kt3 Li 1 exc OK > * gga_xc_kt3 Li 1 vxc OK > * gga_xc_mohlyp BrOH+ 2 exc OK > * gga_xc_mohlyp BrOH+ 2 vxc OK > * gga_xc_mohlyp BrOH+ 1 exc OK > * gga_xc_mohlyp BrOH+ 1 vxc OK > * gga_xc_mohlyp BrOH 2 exc OK > * gga_xc_mohlyp BrOH 2 vxc OK > * gga_xc_mohlyp BrOH 1 exc OK > * gga_xc_mohlyp BrOH 1 vxc OK > * gga_xc_mohlyp H 1 exc OK > * gga_xc_mohlyp H 1 vxc OK > * gga_xc_mohlyp Li 2 exc OK > * gga_xc_mohlyp Li 2 vxc OK > * gga_xc_mohlyp Li 1 exc OK > * gga_xc_mohlyp Li 1 vxc OK > * gga_xc_mohlyp2 BrOH+ 2 exc OK > * gga_xc_mohlyp2 BrOH+ 2 vxc OK > * gga_xc_mohlyp2 BrOH+ 1 exc OK > * gga_xc_mohlyp2 BrOH+ 1 vxc OK > * gga_xc_mohlyp2 BrOH 2 exc OK > * gga_xc_mohlyp2 BrOH 2 vxc OK > * gga_xc_mohlyp2 BrOH 1 exc OK > * gga_xc_mohlyp2 BrOH 1 vxc OK > * gga_xc_mohlyp2 H 1 exc OK > * gga_xc_mohlyp2 H 1 vxc OK > * gga_xc_mohlyp2 Li 2 exc OK > * gga_xc_mohlyp2 Li 2 vxc OK > * gga_xc_mohlyp2 Li 1 exc OK > * gga_xc_mohlyp2 Li 1 vxc OK > * gga_xc_mpwlyp1w BrOH+ 2 exc OK > * gga_xc_mpwlyp1w BrOH+ 2 vxc OK > * gga_xc_mpwlyp1w BrOH+ 1 exc OK > * gga_xc_mpwlyp1w BrOH+ 1 vxc OK > * gga_xc_mpwlyp1w BrOH 2 exc OK > * gga_xc_mpwlyp1w BrOH 2 vxc OK > * gga_xc_mpwlyp1w BrOH 1 exc OK > * gga_xc_mpwlyp1w BrOH 1 vxc OK > * gga_xc_mpwlyp1w H 1 exc OK > * gga_xc_mpwlyp1w H 1 vxc OK > * gga_xc_mpwlyp1w Li 2 exc OK > * gga_xc_mpwlyp1w Li 2 vxc OK > * gga_xc_mpwlyp1w Li 1 exc OK > * gga_xc_mpwlyp1w Li 1 vxc OK > * gga_xc_ncap BrOH+ 2 exc OK > * gga_xc_ncap BrOH+ 2 vxc OK > * gga_xc_ncap BrOH+ 1 exc OK > * gga_xc_ncap BrOH+ 1 vxc OK > * gga_xc_ncap BrOH 2 exc OK > * gga_xc_ncap BrOH 2 vxc OK > * gga_xc_ncap BrOH 1 exc OK > * gga_xc_ncap BrOH 1 vxc OK > * gga_xc_ncap H 2 exc OK > * gga_xc_ncap H 2 vxc OK > * gga_xc_ncap H 1 exc OK > * gga_xc_ncap H 1 vxc OK > * gga_xc_ncap Li 2 exc OK > * gga_xc_ncap Li 2 vxc OK > * gga_xc_ncap Li 1 exc OK > * gga_xc_ncap Li 1 vxc OK > * gga_xc_oblyp_d BrOH+ 2 exc OK > * gga_xc_oblyp_d BrOH+ 2 vxc OK > * gga_xc_oblyp_d BrOH+ 1 exc OK > * gga_xc_oblyp_d BrOH+ 1 vxc OK > * gga_xc_oblyp_d BrOH 2 exc OK > * gga_xc_oblyp_d BrOH 2 vxc OK > * gga_xc_oblyp_d BrOH 1 exc OK > * gga_xc_oblyp_d BrOH 1 vxc OK > * gga_xc_oblyp_d H 1 exc OK > * gga_xc_oblyp_d H 1 vxc OK > * gga_xc_oblyp_d Li 2 exc OK > * gga_xc_oblyp_d Li 2 vxc OK > * gga_xc_oblyp_d Li 1 exc OK > * gga_xc_oblyp_d Li 1 vxc OK > * gga_xc_opbe_d BrOH+ 2 exc OK > * gga_xc_opbe_d BrOH+ 2 vxc OK > * gga_xc_opbe_d BrOH+ 1 exc OK > * gga_xc_opbe_d BrOH+ 1 vxc OK > * gga_xc_opbe_d BrOH 2 exc OK > * gga_xc_opbe_d BrOH 2 vxc OK > * gga_xc_opbe_d BrOH 1 exc OK > * gga_xc_opbe_d BrOH 1 vxc OK > * gga_xc_opbe_d H 2 exc OK > * gga_xc_opbe_d H 2 vxc OK > * gga_xc_opbe_d H 1 exc OK > * gga_xc_opbe_d H 1 vxc OK > * gga_xc_opbe_d Li 2 exc OK > * gga_xc_opbe_d Li 2 vxc OK > * gga_xc_opbe_d Li 1 exc OK > * gga_xc_opbe_d Li 1 vxc OK > * gga_xc_opwlyp_d BrOH+ 2 exc OK > * gga_xc_opwlyp_d BrOH+ 2 vxc OK > * gga_xc_opwlyp_d BrOH+ 1 exc OK > * gga_xc_opwlyp_d BrOH+ 1 vxc OK > * gga_xc_opwlyp_d BrOH 2 exc OK > * gga_xc_opwlyp_d BrOH 2 vxc OK > * gga_xc_opwlyp_d BrOH 1 exc OK > * gga_xc_opwlyp_d BrOH 1 vxc OK > * gga_xc_opwlyp_d H 1 exc OK > * gga_xc_opwlyp_d H 1 vxc OK > * gga_xc_opwlyp_d Li 2 exc OK > * gga_xc_opwlyp_d Li 2 vxc OK > * gga_xc_opwlyp_d Li 1 exc OK > * gga_xc_opwlyp_d Li 1 vxc OK > * gga_xc_pbe1w BrOH+ 2 exc OK > * gga_xc_pbe1w BrOH+ 2 vxc OK > * gga_xc_pbe1w BrOH+ 1 exc OK > * gga_xc_pbe1w BrOH+ 1 vxc OK > * gga_xc_pbe1w BrOH 2 exc OK > * gga_xc_pbe1w BrOH 2 vxc OK > * gga_xc_pbe1w BrOH 1 exc OK > * gga_xc_pbe1w BrOH 1 vxc OK > * gga_xc_pbe1w H 2 exc OK > * gga_xc_pbe1w H 2 vxc OK > * gga_xc_pbe1w H 1 exc OK > * gga_xc_pbe1w H 1 vxc OK > * gga_xc_pbe1w Li 2 exc OK > * gga_xc_pbe1w Li 2 vxc OK > * gga_xc_pbe1w Li 1 exc OK > * gga_xc_pbe1w Li 1 vxc OK > * gga_xc_pbelyp1w BrOH+ 2 exc OK > * gga_xc_pbelyp1w BrOH+ 2 vxc OK > * gga_xc_pbelyp1w BrOH+ 1 exc OK > * gga_xc_pbelyp1w BrOH+ 1 vxc OK > * gga_xc_pbelyp1w BrOH 2 exc OK > * gga_xc_pbelyp1w BrOH 2 vxc OK > * gga_xc_pbelyp1w BrOH 1 exc OK > * gga_xc_pbelyp1w BrOH 1 vxc OK > * gga_xc_pbelyp1w H 1 exc OK > * gga_xc_pbelyp1w H 1 vxc OK > * gga_xc_pbelyp1w Li 2 exc OK > * gga_xc_pbelyp1w Li 2 vxc OK > * gga_xc_pbelyp1w Li 1 exc OK > * gga_xc_pbelyp1w Li 1 vxc OK > * gga_xc_th1 BrOH+ 2 exc OK > * gga_xc_th1 BrOH+ 2 vxc OK > * gga_xc_th1 BrOH+ 1 exc OK > * gga_xc_th1 BrOH+ 1 vxc OK > * gga_xc_th1 BrOH 2 exc OK > * gga_xc_th1 BrOH 2 vxc OK > * gga_xc_th1 BrOH 1 exc OK > * gga_xc_th1 BrOH 1 vxc OK > * gga_xc_th1 H 2 exc OK > * gga_xc_th1 H 2 vxc >3 4 6.3135045964e+17 6.2134896044e+17 1.584144e-02 > >4 4 5.5680476485e+15 5.5503361715e+15 3.180913e-03 > FAIL > * gga_xc_th1 H 1 exc OK > * gga_xc_th1 H 1 vxc OK > * gga_xc_th1 Li 2 exc OK > * gga_xc_th1 Li 2 vxc OK > * gga_xc_th1 Li 1 exc OK > * gga_xc_th1 Li 1 vxc OK > * gga_xc_th2 BrOH+ 2 exc OK > * gga_xc_th2 BrOH+ 2 vxc OK > * gga_xc_th2 BrOH+ 1 exc OK > * gga_xc_th2 BrOH+ 1 vxc OK > * gga_xc_th2 BrOH 2 exc OK > * gga_xc_th2 BrOH 2 vxc OK > * gga_xc_th2 BrOH 1 exc OK > * gga_xc_th2 BrOH 1 vxc OK > * gga_xc_th2 H 2 exc OK > * gga_xc_th2 H 2 vxc >3 4 2.2886750573e+17 2.2524191532e+17 1.584144e-02 > >4 4 -3.9578357643e+17 -3.9452462317e+17 3.180913e-03 > FAIL > * gga_xc_th2 H 1 exc OK > * gga_xc_th2 H 1 vxc OK > * gga_xc_th2 Li 2 exc OK > * gga_xc_th2 Li 2 vxc OK > * gga_xc_th2 Li 1 exc OK > * gga_xc_th2 Li 1 vxc OK > * gga_xc_th3 BrOH+ 2 exc OK > * gga_xc_th3 BrOH+ 2 vxc OK > * gga_xc_th3 BrOH+ 1 exc OK > * gga_xc_th3 BrOH+ 1 vxc OK > * gga_xc_th3 BrOH 2 exc OK > * gga_xc_th3 BrOH 2 vxc OK > * gga_xc_th3 BrOH 1 exc OK > * gga_xc_th3 BrOH 1 vxc OK > * gga_xc_th3 H 2 exc OK > * gga_xc_th3 H 2 vxc >3 4 1.6846517446e+17 1.6579644384e+17 1.584144e-02 > >4 4 -3.5194184916e+17 -3.5082235264e+17 3.180913e-03 > FAIL > * gga_xc_th3 H 1 exc OK > * gga_xc_th3 H 1 vxc OK > * gga_xc_th3 Li 2 exc OK > * gga_xc_th3 Li 2 vxc OK > * gga_xc_th3 Li 1 exc OK > * gga_xc_th3 Li 1 vxc OK > * gga_xc_th4 BrOH+ 2 exc OK > * gga_xc_th4 BrOH+ 2 vxc OK > * gga_xc_th4 BrOH+ 1 exc OK > * gga_xc_th4 BrOH+ 1 vxc OK > * gga_xc_th4 BrOH 2 exc OK > * gga_xc_th4 BrOH 2 vxc OK > * gga_xc_th4 BrOH 1 exc OK > * gga_xc_th4 BrOH 1 vxc OK > * gga_xc_th4 H 2 exc OK > * gga_xc_th4 H 2 vxc >3 4 1.5036319419e+17 1.4798122496e+17 1.584144e-02 > >4 4 -3.1636517286e+17 -3.1535884266e+17 3.180913e-03 > FAIL > * gga_xc_th4 H 1 exc OK > * gga_xc_th4 H 1 vxc OK > * gga_xc_th4 Li 2 exc OK > * gga_xc_th4 Li 2 vxc OK > * gga_xc_th4 Li 1 exc OK > * gga_xc_th4 Li 1 vxc OK > * gga_xc_th_fc BrOH+ 2 exc OK > * gga_xc_th_fc BrOH+ 2 vxc OK > * gga_xc_th_fc BrOH+ 1 exc OK > * gga_xc_th_fc BrOH+ 1 vxc OK > * gga_xc_th_fc BrOH 2 exc OK > * gga_xc_th_fc BrOH 2 vxc OK > * gga_xc_th_fc BrOH 1 exc OK > * gga_xc_th_fc BrOH 1 vxc OK > * gga_xc_th_fc H 2 exc OK > * gga_xc_th_fc H 2 vxc >3 4 6.7726306864e+17 6.6653424769e+17 1.584144e-02 > >4 4 -5.7672750179e+17 -5.7489298159e+17 3.180913e-03 > FAIL > * gga_xc_th_fc H 1 exc OK > * gga_xc_th_fc H 1 vxc OK > * gga_xc_th_fc Li 2 exc OK > * gga_xc_th_fc Li 2 vxc OK > * gga_xc_th_fc Li 1 exc OK > * gga_xc_th_fc Li 1 vxc OK > * gga_xc_th_fcfo BrOH+ 2 exc OK > * gga_xc_th_fcfo BrOH+ 2 vxc OK > * gga_xc_th_fcfo BrOH+ 1 exc OK > * gga_xc_th_fcfo BrOH+ 1 vxc OK > * gga_xc_th_fcfo BrOH 2 exc OK > * gga_xc_th_fcfo BrOH 2 vxc OK > * gga_xc_th_fcfo BrOH 1 exc OK > * gga_xc_th_fcfo BrOH 1 vxc OK > * gga_xc_th_fcfo H 2 exc OK > * gga_xc_th_fcfo H 2 vxc >3 4 6.7726306864e+17 6.6653424769e+17 1.584144e-02 > >4 4 -5.7672750179e+17 -5.7489298159e+17 3.180913e-03 > FAIL > * gga_xc_th_fcfo H 1 exc OK > * gga_xc_th_fcfo H 1 vxc OK > * gga_xc_th_fcfo Li 2 exc OK > * gga_xc_th_fcfo Li 2 vxc OK > * gga_xc_th_fcfo Li 1 exc OK > * gga_xc_th_fcfo Li 1 vxc OK > * gga_xc_th_fco BrOH+ 2 exc OK > * gga_xc_th_fco BrOH+ 2 vxc OK > * gga_xc_th_fco BrOH+ 1 exc OK > * gga_xc_th_fco BrOH+ 1 vxc OK > * gga_xc_th_fco BrOH 2 exc OK > * gga_xc_th_fco BrOH 2 vxc OK > * gga_xc_th_fco BrOH 1 exc OK > * gga_xc_th_fco BrOH 1 vxc OK > * gga_xc_th_fco H 2 exc OK > * gga_xc_th_fco H 2 vxc >3 4 5.8710934363e+17 5.7780868733e+17 1.584144e-02 > >4 4 -4.5971446292e+17 -4.5825215105e+17 3.180913e-03 > FAIL > * gga_xc_th_fco H 1 exc OK > * gga_xc_th_fco H 1 vxc OK > * gga_xc_th_fco Li 2 exc OK > * gga_xc_th_fco Li 2 vxc OK > * gga_xc_th_fco Li 1 exc OK > * gga_xc_th_fco Li 1 vxc OK > * gga_xc_th_fl BrOH+ 2 exc OK > * gga_xc_th_fl BrOH+ 2 vxc OK > * gga_xc_th_fl BrOH+ 1 exc OK > * gga_xc_th_fl BrOH+ 1 vxc OK > * gga_xc_th_fl BrOH 2 exc OK > * gga_xc_th_fl BrOH 2 vxc OK > * gga_xc_th_fl BrOH 1 exc OK > * gga_xc_th_fl BrOH 1 vxc OK > * gga_xc_th_fl H 2 exc OK > * gga_xc_th_fl H 2 vxc OK > * gga_xc_th_fl H 1 exc OK > * gga_xc_th_fl H 1 vxc OK > * gga_xc_th_fl Li 2 exc OK > * gga_xc_th_fl Li 2 vxc OK > * gga_xc_th_fl Li 1 exc OK > * gga_xc_th_fl Li 1 vxc OK > * gga_xc_vv10 BrOH+ 2 exc OK > * gga_xc_vv10 BrOH+ 2 vxc OK > * gga_xc_vv10 BrOH+ 1 exc OK > * gga_xc_vv10 BrOH+ 1 vxc OK > * gga_xc_vv10 BrOH 2 exc OK > * gga_xc_vv10 BrOH 2 vxc OK > * gga_xc_vv10 BrOH 1 exc OK > * gga_xc_vv10 BrOH 1 vxc OK > * gga_xc_vv10 H 2 exc OK > * gga_xc_vv10 H 2 vxc OK > * gga_xc_vv10 H 1 exc OK > * gga_xc_vv10 H 1 vxc OK > * gga_xc_vv10 Li 2 exc OK > * gga_xc_vv10 Li 2 vxc OK > * gga_xc_vv10 Li 1 exc OK > * gga_xc_vv10 Li 1 vxc OK > * gga_xc_xlyp BrOH+ 2 exc OK > * gga_xc_xlyp BrOH+ 2 vxc OK > * gga_xc_xlyp BrOH+ 1 exc OK > * gga_xc_xlyp BrOH+ 1 vxc OK > * gga_xc_xlyp BrOH 2 exc OK > * gga_xc_xlyp BrOH 2 vxc OK > * gga_xc_xlyp BrOH 1 exc OK > * gga_xc_xlyp BrOH 1 vxc OK > * gga_xc_xlyp H 1 exc OK > * gga_xc_xlyp H 1 vxc OK > * gga_xc_xlyp Li 2 exc OK > * gga_xc_xlyp Li 2 vxc OK > * gga_xc_xlyp Li 1 exc OK > * gga_xc_xlyp Li 1 vxc OK > * hyb_gga_x_n12_sx BrOH+ 2 exc OK > * hyb_gga_x_n12_sx BrOH+ 2 vxc OK > * hyb_gga_x_n12_sx BrOH+ 1 exc OK > * hyb_gga_x_n12_sx BrOH+ 1 vxc OK > * hyb_gga_x_n12_sx BrOH 2 exc OK > * hyb_gga_x_n12_sx BrOH 2 vxc OK > * hyb_gga_x_n12_sx BrOH 1 exc OK > * hyb_gga_x_n12_sx BrOH 1 vxc OK > * hyb_gga_x_n12_sx H 2 exc OK > * hyb_gga_x_n12_sx H 1 exc OK > * hyb_gga_x_n12_sx H 1 vxc OK > * hyb_gga_x_n12_sx Li 2 exc OK > * hyb_gga_x_n12_sx Li 2 vxc OK > * hyb_gga_x_n12_sx Li 1 exc OK > * hyb_gga_x_n12_sx Li 1 vxc OK > * hyb_gga_x_s12h BrOH+ 2 exc OK > * hyb_gga_x_s12h BrOH+ 2 vxc OK > * hyb_gga_x_s12h BrOH+ 1 exc OK > * hyb_gga_x_s12h BrOH+ 1 vxc OK > * hyb_gga_x_s12h BrOH 2 exc OK > * hyb_gga_x_s12h BrOH 2 vxc OK > * hyb_gga_x_s12h BrOH 1 exc OK > * hyb_gga_x_s12h BrOH 1 vxc OK > * hyb_gga_x_s12h H 2 exc OK > * hyb_gga_x_s12h H 2 vxc OK > * hyb_gga_x_s12h H 1 exc OK > * hyb_gga_x_s12h H 1 vxc OK > * hyb_gga_x_s12h Li 2 exc OK > * hyb_gga_x_s12h Li 2 vxc OK > * hyb_gga_x_s12h Li 1 exc OK > * hyb_gga_x_s12h Li 1 vxc OK > * hyb_gga_x_sogga11_x BrOH+ 2 exc OK > * hyb_gga_x_sogga11_x BrOH+ 2 vxc OK > * hyb_gga_x_sogga11_x BrOH+ 1 exc OK > * hyb_gga_x_sogga11_x BrOH+ 1 vxc OK > * hyb_gga_x_sogga11_x BrOH 2 exc OK > * hyb_gga_x_sogga11_x BrOH 2 vxc OK > * hyb_gga_x_sogga11_x BrOH 1 exc OK > * hyb_gga_x_sogga11_x BrOH 1 vxc OK > * hyb_gga_x_sogga11_x H 2 exc OK > * hyb_gga_x_sogga11_x H 2 vxc OK > * hyb_gga_x_sogga11_x H 1 exc OK > * hyb_gga_x_sogga11_x H 1 vxc OK > * hyb_gga_x_sogga11_x Li 2 exc OK > * hyb_gga_x_sogga11_x Li 2 vxc OK > * hyb_gga_x_sogga11_x Li 1 exc OK > * hyb_gga_x_sogga11_x Li 1 vxc OK > * hyb_gga_xc_apbe0 BrOH+ 2 exc OK > * hyb_gga_xc_apbe0 BrOH+ 2 vxc OK > * hyb_gga_xc_apbe0 BrOH+ 1 exc OK > * hyb_gga_xc_apbe0 BrOH+ 1 vxc OK > * hyb_gga_xc_apbe0 BrOH 2 exc OK > * hyb_gga_xc_apbe0 BrOH 2 vxc OK > * hyb_gga_xc_apbe0 BrOH 1 exc OK > * hyb_gga_xc_apbe0 BrOH 1 vxc OK > * hyb_gga_xc_apbe0 H 2 exc OK > * hyb_gga_xc_apbe0 H 2 vxc OK > * hyb_gga_xc_apbe0 H 1 exc OK > * hyb_gga_xc_apbe0 H 1 vxc OK > * hyb_gga_xc_apbe0 Li 2 exc OK > * hyb_gga_xc_apbe0 Li 2 vxc OK > * hyb_gga_xc_apbe0 Li 1 exc OK > * hyb_gga_xc_apbe0 Li 1 vxc OK > * hyb_gga_xc_apf BrOH+ 2 exc OK > * hyb_gga_xc_apf BrOH+ 2 vxc OK > * hyb_gga_xc_apf BrOH+ 1 exc OK > * hyb_gga_xc_apf BrOH+ 1 vxc OK > * hyb_gga_xc_apf BrOH 2 exc OK > * hyb_gga_xc_apf BrOH 2 vxc OK > * hyb_gga_xc_apf BrOH 1 exc OK > * hyb_gga_xc_apf BrOH 1 vxc OK > * hyb_gga_xc_apf H 2 exc OK > * hyb_gga_xc_apf H 2 vxc OK > * hyb_gga_xc_apf H 1 exc OK > * hyb_gga_xc_apf H 1 vxc OK > * hyb_gga_xc_apf Li 2 exc OK > * hyb_gga_xc_apf Li 2 vxc OK > * hyb_gga_xc_apf Li 1 exc OK > * hyb_gga_xc_apf Li 1 vxc OK > * hyb_gga_xc_b1lyp BrOH+ 2 exc OK > * hyb_gga_xc_b1lyp BrOH+ 2 vxc OK > * hyb_gga_xc_b1lyp BrOH+ 1 exc OK > * hyb_gga_xc_b1lyp BrOH+ 1 vxc OK > * hyb_gga_xc_b1lyp BrOH 2 exc OK > * hyb_gga_xc_b1lyp BrOH 2 vxc OK > * hyb_gga_xc_b1lyp BrOH 1 exc OK > * hyb_gga_xc_b1lyp BrOH 1 vxc OK > * hyb_gga_xc_b1lyp H 1 exc OK > * hyb_gga_xc_b1lyp H 1 vxc OK > * hyb_gga_xc_b1lyp Li 2 exc OK > * hyb_gga_xc_b1lyp Li 2 vxc OK > * hyb_gga_xc_b1lyp Li 1 exc OK > * hyb_gga_xc_b1lyp Li 1 vxc OK > * hyb_gga_xc_b1pw91 BrOH+ 2 exc OK > * hyb_gga_xc_b1pw91 BrOH+ 2 vxc OK > * hyb_gga_xc_b1pw91 BrOH+ 1 exc OK > * hyb_gga_xc_b1pw91 BrOH+ 1 vxc OK > * hyb_gga_xc_b1pw91 BrOH 2 exc OK > * hyb_gga_xc_b1pw91 BrOH 2 vxc OK > * hyb_gga_xc_b1pw91 BrOH 1 exc OK > * hyb_gga_xc_b1pw91 BrOH 1 vxc OK > * hyb_gga_xc_b1pw91 H 2 exc OK > * hyb_gga_xc_b1pw91 H 2 vxc OK > * hyb_gga_xc_b1pw91 H 1 exc OK > * hyb_gga_xc_b1pw91 H 1 vxc OK > * hyb_gga_xc_b1pw91 Li 2 exc OK > * hyb_gga_xc_b1pw91 Li 2 vxc OK > * hyb_gga_xc_b1pw91 Li 1 exc OK > * hyb_gga_xc_b1pw91 Li 1 vxc OK > * hyb_gga_xc_b1wc BrOH+ 2 exc OK > * hyb_gga_xc_b1wc BrOH+ 2 vxc OK > * hyb_gga_xc_b1wc BrOH+ 1 exc OK > * hyb_gga_xc_b1wc BrOH+ 1 vxc OK > * hyb_gga_xc_b1wc BrOH 2 exc OK > * hyb_gga_xc_b1wc BrOH 2 vxc OK > * hyb_gga_xc_b1wc BrOH 1 exc OK > * hyb_gga_xc_b1wc BrOH 1 vxc OK > * hyb_gga_xc_b1wc H 2 exc OK > * hyb_gga_xc_b1wc H 2 vxc OK > * hyb_gga_xc_b1wc H 1 exc OK > * hyb_gga_xc_b1wc H 1 vxc OK > * hyb_gga_xc_b1wc Li 2 exc OK > * hyb_gga_xc_b1wc Li 2 vxc OK > * hyb_gga_xc_b1wc Li 1 exc OK > * hyb_gga_xc_b1wc Li 1 vxc OK > * hyb_gga_xc_b3lyp BrOH+ 2 exc OK > * hyb_gga_xc_b3lyp BrOH+ 2 vxc OK > * hyb_gga_xc_b3lyp BrOH+ 1 exc OK > * hyb_gga_xc_b3lyp BrOH+ 1 vxc OK > * hyb_gga_xc_b3lyp BrOH 2 exc OK > * hyb_gga_xc_b3lyp BrOH 2 vxc OK > * hyb_gga_xc_b3lyp BrOH 1 exc OK > * hyb_gga_xc_b3lyp BrOH 1 vxc OK > * hyb_gga_xc_b3lyp H 1 exc OK > * hyb_gga_xc_b3lyp H 1 vxc OK > * hyb_gga_xc_b3lyp Li 2 exc OK > * hyb_gga_xc_b3lyp Li 2 vxc OK > * hyb_gga_xc_b3lyp Li 1 exc OK > * hyb_gga_xc_b3lyp Li 1 vxc OK > * hyb_gga_xc_b3lyp3 BrOH+ 2 exc OK > * hyb_gga_xc_b3lyp3 BrOH+ 2 vxc OK > * hyb_gga_xc_b3lyp3 BrOH+ 1 exc OK > * hyb_gga_xc_b3lyp3 BrOH+ 1 vxc OK > * hyb_gga_xc_b3lyp3 BrOH 2 exc OK > * hyb_gga_xc_b3lyp3 BrOH 2 vxc OK > * hyb_gga_xc_b3lyp3 BrOH 1 exc OK > * hyb_gga_xc_b3lyp3 BrOH 1 vxc OK > * hyb_gga_xc_b3lyp3 H 2 exc OK > * hyb_gga_xc_b3lyp3 H 2 vxc OK > * hyb_gga_xc_b3lyp3 H 1 exc OK > * hyb_gga_xc_b3lyp3 H 1 vxc OK > * hyb_gga_xc_b3lyp3 Li 2 exc OK > * hyb_gga_xc_b3lyp3 Li 2 vxc OK > * hyb_gga_xc_b3lyp3 Li 1 exc OK > * hyb_gga_xc_b3lyp3 Li 1 vxc OK > * hyb_gga_xc_b3lyp5 BrOH+ 2 exc OK > * hyb_gga_xc_b3lyp5 BrOH+ 2 vxc OK > * hyb_gga_xc_b3lyp5 BrOH+ 1 exc OK > * hyb_gga_xc_b3lyp5 BrOH+ 1 vxc OK > * hyb_gga_xc_b3lyp5 BrOH 2 exc OK > * hyb_gga_xc_b3lyp5 BrOH 2 vxc OK > * hyb_gga_xc_b3lyp5 BrOH 1 exc OK > * hyb_gga_xc_b3lyp5 BrOH 1 vxc OK > * hyb_gga_xc_b3lyp5 H 1 exc OK > * hyb_gga_xc_b3lyp5 H 1 vxc OK > * hyb_gga_xc_b3lyp5 Li 2 exc OK > * hyb_gga_xc_b3lyp5 Li 2 vxc OK > * hyb_gga_xc_b3lyp5 Li 1 exc OK > * hyb_gga_xc_b3lyp5 Li 1 vxc OK > * hyb_gga_xc_b3lyp_mcm1 BrOH+ 2 exc OK > * hyb_gga_xc_b3lyp_mcm1 BrOH+ 2 vxc OK > * hyb_gga_xc_b3lyp_mcm1 BrOH+ 1 exc OK > * hyb_gga_xc_b3lyp_mcm1 BrOH+ 1 vxc OK > * hyb_gga_xc_b3lyp_mcm1 BrOH 2 exc OK > * hyb_gga_xc_b3lyp_mcm1 BrOH 2 vxc OK > * hyb_gga_xc_b3lyp_mcm1 BrOH 1 exc OK > * hyb_gga_xc_b3lyp_mcm1 BrOH 1 vxc OK > * hyb_gga_xc_b3lyp_mcm1 H 1 exc OK > * hyb_gga_xc_b3lyp_mcm1 H 1 vxc OK > * hyb_gga_xc_b3lyp_mcm1 Li 2 exc OK > * hyb_gga_xc_b3lyp_mcm1 Li 2 vxc OK > * hyb_gga_xc_b3lyp_mcm1 Li 1 exc OK > * hyb_gga_xc_b3lyp_mcm1 Li 1 vxc OK > * hyb_gga_xc_b3lyp_mcm2 BrOH+ 2 exc OK > * hyb_gga_xc_b3lyp_mcm2 BrOH+ 2 vxc OK > * hyb_gga_xc_b3lyp_mcm2 BrOH+ 1 exc OK > * hyb_gga_xc_b3lyp_mcm2 BrOH+ 1 vxc OK > * hyb_gga_xc_b3lyp_mcm2 BrOH 2 exc OK > * hyb_gga_xc_b3lyp_mcm2 BrOH 2 vxc OK > * hyb_gga_xc_b3lyp_mcm2 BrOH 1 exc OK > * hyb_gga_xc_b3lyp_mcm2 BrOH 1 vxc OK > * hyb_gga_xc_b3lyp_mcm2 H 1 exc OK > * hyb_gga_xc_b3lyp_mcm2 H 1 vxc OK > * hyb_gga_xc_b3lyp_mcm2 Li 2 exc OK > * hyb_gga_xc_b3lyp_mcm2 Li 2 vxc OK > * hyb_gga_xc_b3lyp_mcm2 Li 1 exc OK > * hyb_gga_xc_b3lyp_mcm2 Li 1 vxc OK > * hyb_gga_xc_b3lyps BrOH+ 2 exc OK > * hyb_gga_xc_b3lyps BrOH+ 2 vxc OK > * hyb_gga_xc_b3lyps BrOH+ 1 exc OK > * hyb_gga_xc_b3lyps BrOH+ 1 vxc OK > * hyb_gga_xc_b3lyps BrOH 2 exc OK > * hyb_gga_xc_b3lyps BrOH 2 vxc OK > * hyb_gga_xc_b3lyps BrOH 1 exc OK > * hyb_gga_xc_b3lyps BrOH 1 vxc OK > * hyb_gga_xc_b3lyps H 1 exc OK > * hyb_gga_xc_b3lyps H 1 vxc OK > * hyb_gga_xc_b3lyps Li 2 exc OK > * hyb_gga_xc_b3lyps Li 2 vxc OK > * hyb_gga_xc_b3lyps Li 1 exc OK > * hyb_gga_xc_b3lyps Li 1 vxc OK > * hyb_gga_xc_b3p86 BrOH+ 2 exc OK > * hyb_gga_xc_b3p86 BrOH+ 2 vxc OK > * hyb_gga_xc_b3p86 BrOH+ 1 exc OK > * hyb_gga_xc_b3p86 BrOH+ 1 vxc OK > * hyb_gga_xc_b3p86 BrOH 2 exc OK > * hyb_gga_xc_b3p86 BrOH 2 vxc OK > * hyb_gga_xc_b3p86 BrOH 1 exc OK > * hyb_gga_xc_b3p86 BrOH 1 vxc OK > * hyb_gga_xc_b3p86 H 2 exc OK > * hyb_gga_xc_b3p86 H 2 vxc OK > * hyb_gga_xc_b3p86 H 1 exc OK > * hyb_gga_xc_b3p86 H 1 vxc OK > * hyb_gga_xc_b3p86 Li 2 exc OK > * hyb_gga_xc_b3p86 Li 2 vxc OK > * hyb_gga_xc_b3p86 Li 1 exc OK > * hyb_gga_xc_b3p86 Li 1 vxc OK > * hyb_gga_xc_b3pw91 BrOH+ 2 exc OK > * hyb_gga_xc_b3pw91 BrOH+ 2 vxc OK > * hyb_gga_xc_b3pw91 BrOH+ 1 exc OK > * hyb_gga_xc_b3pw91 BrOH+ 1 vxc OK > * hyb_gga_xc_b3pw91 BrOH 2 exc OK > * hyb_gga_xc_b3pw91 BrOH 2 vxc OK > * hyb_gga_xc_b3pw91 BrOH 1 exc OK > * hyb_gga_xc_b3pw91 BrOH 1 vxc OK > * hyb_gga_xc_b3pw91 H 2 exc OK > * hyb_gga_xc_b3pw91 H 2 vxc OK > * hyb_gga_xc_b3pw91 H 1 exc OK > * hyb_gga_xc_b3pw91 H 1 vxc OK > * hyb_gga_xc_b3pw91 Li 2 exc OK > * hyb_gga_xc_b3pw91 Li 2 vxc OK > * hyb_gga_xc_b3pw91 Li 1 exc OK > * hyb_gga_xc_b3pw91 Li 1 vxc OK > * hyb_gga_xc_b5050lyp BrOH+ 2 exc OK > * hyb_gga_xc_b5050lyp BrOH+ 2 vxc OK > * hyb_gga_xc_b5050lyp BrOH+ 1 exc OK > * hyb_gga_xc_b5050lyp BrOH+ 1 vxc OK > * hyb_gga_xc_b5050lyp BrOH 2 exc OK > * hyb_gga_xc_b5050lyp BrOH 2 vxc OK > * hyb_gga_xc_b5050lyp BrOH 1 exc OK > * hyb_gga_xc_b5050lyp BrOH 1 vxc OK > * hyb_gga_xc_b5050lyp H 1 exc OK > * hyb_gga_xc_b5050lyp H 1 vxc OK > * hyb_gga_xc_b5050lyp Li 2 exc OK > * hyb_gga_xc_b5050lyp Li 2 vxc OK > * hyb_gga_xc_b5050lyp Li 1 exc OK > * hyb_gga_xc_b5050lyp Li 1 vxc OK > * hyb_gga_xc_b97 BrOH+ 2 exc OK > * hyb_gga_xc_b97 BrOH+ 2 vxc OK > * hyb_gga_xc_b97 BrOH+ 1 exc OK > * hyb_gga_xc_b97 BrOH+ 1 vxc OK > * hyb_gga_xc_b97 BrOH 2 exc OK > * hyb_gga_xc_b97 BrOH 2 vxc OK > * hyb_gga_xc_b97 BrOH 1 exc OK > * hyb_gga_xc_b97 BrOH 1 vxc OK > * hyb_gga_xc_b97 H 2 exc OK > * hyb_gga_xc_b97 H 1 exc OK > * hyb_gga_xc_b97 H 1 vxc OK > * hyb_gga_xc_b97 Li 2 exc OK > * hyb_gga_xc_b97 Li 2 vxc OK > * hyb_gga_xc_b97 Li 1 exc OK > * hyb_gga_xc_b97 Li 1 vxc OK > * hyb_gga_xc_b97_1 BrOH+ 2 exc OK > * hyb_gga_xc_b97_1 BrOH+ 2 vxc OK > * hyb_gga_xc_b97_1 BrOH+ 1 exc OK > * hyb_gga_xc_b97_1 BrOH+ 1 vxc OK > * hyb_gga_xc_b97_1 BrOH 2 exc OK > * hyb_gga_xc_b97_1 BrOH 2 vxc OK > * hyb_gga_xc_b97_1 BrOH 1 exc OK > * hyb_gga_xc_b97_1 BrOH 1 vxc OK > * hyb_gga_xc_b97_1 H 2 exc OK > * hyb_gga_xc_b97_1 H 1 exc OK > * hyb_gga_xc_b97_1 H 1 vxc OK > * hyb_gga_xc_b97_1 Li 2 exc OK > * hyb_gga_xc_b97_1 Li 2 vxc OK > * hyb_gga_xc_b97_1 Li 1 exc OK > * hyb_gga_xc_b97_1 Li 1 vxc OK > * hyb_gga_xc_b97_1p BrOH+ 2 exc OK > * hyb_gga_xc_b97_1p BrOH+ 2 vxc OK > * hyb_gga_xc_b97_1p BrOH+ 1 exc OK > * hyb_gga_xc_b97_1p BrOH+ 1 vxc OK > * hyb_gga_xc_b97_1p BrOH 2 exc OK > * hyb_gga_xc_b97_1p BrOH 2 vxc OK > * hyb_gga_xc_b97_1p BrOH 1 exc OK > * hyb_gga_xc_b97_1p BrOH 1 vxc OK > * hyb_gga_xc_b97_1p H 2 exc OK > * hyb_gga_xc_b97_1p H 1 exc OK > * hyb_gga_xc_b97_1p H 1 vxc OK > * hyb_gga_xc_b97_1p Li 2 exc OK > * hyb_gga_xc_b97_1p Li 2 vxc OK > * hyb_gga_xc_b97_1p Li 1 exc OK > * hyb_gga_xc_b97_1p Li 1 vxc OK > * hyb_gga_xc_b97_2 BrOH+ 2 exc OK > * hyb_gga_xc_b97_2 BrOH+ 2 vxc OK > * hyb_gga_xc_b97_2 BrOH+ 1 exc OK > * hyb_gga_xc_b97_2 BrOH+ 1 vxc OK > * hyb_gga_xc_b97_2 BrOH 2 exc OK > * hyb_gga_xc_b97_2 BrOH 2 vxc OK > * hyb_gga_xc_b97_2 BrOH 1 exc OK > * hyb_gga_xc_b97_2 BrOH 1 vxc OK > * hyb_gga_xc_b97_2 H 2 exc OK > * hyb_gga_xc_b97_2 H 1 exc OK > * hyb_gga_xc_b97_2 H 1 vxc OK > * hyb_gga_xc_b97_2 Li 2 exc OK > * hyb_gga_xc_b97_2 Li 2 vxc OK > * hyb_gga_xc_b97_2 Li 1 exc OK > * hyb_gga_xc_b97_2 Li 1 vxc OK > * hyb_gga_xc_b97_3 BrOH+ 2 exc OK > * hyb_gga_xc_b97_3 BrOH+ 2 vxc OK > * hyb_gga_xc_b97_3 BrOH+ 1 exc OK > * hyb_gga_xc_b97_3 BrOH+ 1 vxc OK > * hyb_gga_xc_b97_3 BrOH 2 exc OK > * hyb_gga_xc_b97_3 BrOH 2 vxc OK > * hyb_gga_xc_b97_3 BrOH 1 exc OK > * hyb_gga_xc_b97_3 BrOH 1 vxc OK > * hyb_gga_xc_b97_3 H 2 exc OK > * hyb_gga_xc_b97_3 H 1 exc OK > * hyb_gga_xc_b97_3 H 1 vxc OK > * hyb_gga_xc_b97_3 Li 2 exc OK > * hyb_gga_xc_b97_3 Li 2 vxc OK > * hyb_gga_xc_b97_3 Li 1 exc OK > * hyb_gga_xc_b97_3 Li 1 vxc OK > * hyb_gga_xc_b97_k BrOH+ 2 exc OK > * hyb_gga_xc_b97_k BrOH+ 2 vxc OK > * hyb_gga_xc_b97_k BrOH+ 1 exc OK > * hyb_gga_xc_b97_k BrOH+ 1 vxc OK > * hyb_gga_xc_b97_k BrOH 2 exc OK > * hyb_gga_xc_b97_k BrOH 2 vxc OK > * hyb_gga_xc_b97_k BrOH 1 exc OK > * hyb_gga_xc_b97_k BrOH 1 vxc OK > * hyb_gga_xc_b97_k H 2 exc OK > * hyb_gga_xc_b97_k H 1 exc OK > * hyb_gga_xc_b97_k H 1 vxc OK > * hyb_gga_xc_b97_k Li 2 exc OK > * hyb_gga_xc_b97_k Li 2 vxc OK > * hyb_gga_xc_b97_k Li 1 exc OK > * hyb_gga_xc_b97_k Li 1 vxc OK > * hyb_gga_xc_bhandh BrOH+ 2 exc OK > * hyb_gga_xc_bhandh BrOH+ 2 vxc OK > * hyb_gga_xc_bhandh BrOH+ 1 exc OK > * hyb_gga_xc_bhandh BrOH+ 1 vxc OK > * hyb_gga_xc_bhandh BrOH 2 exc OK > * hyb_gga_xc_bhandh BrOH 2 vxc OK > * hyb_gga_xc_bhandh BrOH 1 exc OK > * hyb_gga_xc_bhandh BrOH 1 vxc OK > * hyb_gga_xc_bhandh H 1 exc OK > * hyb_gga_xc_bhandh H 1 vxc OK > * hyb_gga_xc_bhandh Li 2 exc OK > * hyb_gga_xc_bhandh Li 2 vxc OK > * hyb_gga_xc_bhandh Li 1 exc OK > * hyb_gga_xc_bhandh Li 1 vxc OK > * hyb_gga_xc_bhandhlyp BrOH+ 2 exc OK > * hyb_gga_xc_bhandhlyp BrOH+ 2 vxc OK > * hyb_gga_xc_bhandhlyp BrOH+ 1 exc OK > * hyb_gga_xc_bhandhlyp BrOH+ 1 vxc OK > * hyb_gga_xc_bhandhlyp BrOH 2 exc OK > * hyb_gga_xc_bhandhlyp BrOH 2 vxc OK > * hyb_gga_xc_bhandhlyp BrOH 1 exc OK > * hyb_gga_xc_bhandhlyp BrOH 1 vxc OK > * hyb_gga_xc_bhandhlyp H 1 exc OK > * hyb_gga_xc_bhandhlyp H 1 vxc OK > * hyb_gga_xc_bhandhlyp Li 2 exc OK > * hyb_gga_xc_bhandhlyp Li 2 vxc OK > * hyb_gga_xc_bhandhlyp Li 1 exc OK > * hyb_gga_xc_bhandhlyp Li 1 vxc OK > * hyb_gga_xc_blyp35 BrOH+ 2 exc OK > * hyb_gga_xc_blyp35 BrOH+ 2 vxc OK > * hyb_gga_xc_blyp35 BrOH+ 1 exc OK > * hyb_gga_xc_blyp35 BrOH+ 1 vxc OK > * hyb_gga_xc_blyp35 BrOH 2 exc OK > * hyb_gga_xc_blyp35 BrOH 2 vxc OK > * hyb_gga_xc_blyp35 BrOH 1 exc OK > * hyb_gga_xc_blyp35 BrOH 1 vxc OK > * hyb_gga_xc_blyp35 H 1 exc OK > * hyb_gga_xc_blyp35 H 1 vxc OK > * hyb_gga_xc_blyp35 Li 2 exc OK > * hyb_gga_xc_blyp35 Li 2 vxc OK > * hyb_gga_xc_blyp35 Li 1 exc OK > * hyb_gga_xc_blyp35 Li 1 vxc OK > * hyb_gga_xc_cam_b3lyp BrOH+ 2 exc OK > * hyb_gga_xc_cam_b3lyp BrOH+ 2 vxc OK > * hyb_gga_xc_cam_b3lyp BrOH+ 1 exc OK > * hyb_gga_xc_cam_b3lyp BrOH+ 1 vxc OK > * hyb_gga_xc_cam_b3lyp BrOH 2 exc OK > * hyb_gga_xc_cam_b3lyp BrOH 2 vxc OK > * hyb_gga_xc_cam_b3lyp BrOH 1 exc OK > * hyb_gga_xc_cam_b3lyp BrOH 1 vxc OK > * hyb_gga_xc_cam_b3lyp H 1 exc OK > * hyb_gga_xc_cam_b3lyp H 1 vxc OK > * hyb_gga_xc_cam_b3lyp Li 2 exc OK > * hyb_gga_xc_cam_b3lyp Li 1 exc OK > * hyb_gga_xc_cam_b3lyp Li 1 vxc OK > * hyb_gga_xc_cam_o3lyp BrOH+ 2 exc OK > * hyb_gga_xc_cam_o3lyp BrOH+ 2 vxc OK > * hyb_gga_xc_cam_o3lyp BrOH+ 1 exc OK > * hyb_gga_xc_cam_o3lyp BrOH+ 1 vxc OK > * hyb_gga_xc_cam_o3lyp BrOH 2 exc OK > * hyb_gga_xc_cam_o3lyp BrOH 2 vxc OK > * hyb_gga_xc_cam_o3lyp BrOH 1 exc OK > * hyb_gga_xc_cam_o3lyp BrOH 1 vxc OK > * hyb_gga_xc_cam_o3lyp H 2 exc OK > * hyb_gga_xc_cam_o3lyp H 2 vxc OK > * hyb_gga_xc_cam_o3lyp H 1 exc OK > * hyb_gga_xc_cam_o3lyp H 1 vxc OK > * hyb_gga_xc_cam_o3lyp Li 2 exc OK > * hyb_gga_xc_cam_o3lyp Li 2 vxc OK > * hyb_gga_xc_cam_o3lyp Li 1 exc OK > * hyb_gga_xc_cam_o3lyp Li 1 vxc OK > * hyb_gga_xc_cam_pbeh BrOH+ 2 exc OK > * hyb_gga_xc_cam_pbeh BrOH+ 2 vxc OK > * hyb_gga_xc_cam_pbeh BrOH+ 1 exc OK > * hyb_gga_xc_cam_pbeh BrOH+ 1 vxc OK > * hyb_gga_xc_cam_pbeh BrOH 2 exc OK > * hyb_gga_xc_cam_pbeh BrOH 2 vxc OK > * hyb_gga_xc_cam_pbeh BrOH 1 exc OK > * hyb_gga_xc_cam_pbeh BrOH 1 vxc OK > * hyb_gga_xc_cam_pbeh H 2 exc OK > * hyb_gga_xc_cam_pbeh H 1 exc OK > * hyb_gga_xc_cam_pbeh H 1 vxc OK > * hyb_gga_xc_cam_pbeh Li 2 exc OK > * hyb_gga_xc_cam_pbeh Li 2 vxc OK > * hyb_gga_xc_cam_pbeh Li 1 exc OK > * hyb_gga_xc_cam_pbeh Li 1 vxc OK > * hyb_gga_xc_cam_qtp_00 BrOH+ 2 exc OK > * hyb_gga_xc_cam_qtp_00 BrOH+ 2 vxc OK > * hyb_gga_xc_cam_qtp_00 BrOH+ 1 exc OK > * hyb_gga_xc_cam_qtp_00 BrOH+ 1 vxc OK > * hyb_gga_xc_cam_qtp_00 BrOH 2 exc OK > * hyb_gga_xc_cam_qtp_00 BrOH 2 vxc OK > * hyb_gga_xc_cam_qtp_00 BrOH 1 exc OK > * hyb_gga_xc_cam_qtp_00 BrOH 1 vxc OK > * hyb_gga_xc_cam_qtp_00 H 1 exc OK > * hyb_gga_xc_cam_qtp_00 H 1 vxc OK > * hyb_gga_xc_cam_qtp_00 Li 2 exc OK > * hyb_gga_xc_cam_qtp_00 Li 1 exc OK > * hyb_gga_xc_cam_qtp_00 Li 1 vxc OK > * hyb_gga_xc_cam_qtp_01 BrOH 2 exc OK > * hyb_gga_xc_cam_qtp_01 BrOH 2 vxc OK > * hyb_gga_xc_cam_qtp_01 BrOH 1 exc OK > * hyb_gga_xc_cam_qtp_01 BrOH 1 vxc OK > * hyb_gga_xc_cam_qtp_01 H 1 exc OK > * hyb_gga_xc_cam_qtp_01 H 1 vxc OK > * hyb_gga_xc_cam_qtp_01 Li 2 exc OK > * hyb_gga_xc_cam_qtp_01 Li 1 exc OK > * hyb_gga_xc_cam_qtp_02 BrOH 2 exc OK > * hyb_gga_xc_cam_qtp_02 BrOH 2 vxc OK > * hyb_gga_xc_cam_qtp_02 BrOH 1 exc OK > * hyb_gga_xc_cam_qtp_02 BrOH 1 vxc OK > * hyb_gga_xc_cam_qtp_02 H 1 exc OK > * hyb_gga_xc_cam_qtp_02 H 1 vxc OK > * hyb_gga_xc_cam_qtp_02 Li 2 exc OK > * hyb_gga_xc_cam_qtp_02 Li 1 exc OK > * hyb_gga_xc_camh_b3lyp BrOH+ 2 exc OK > * hyb_gga_xc_camh_b3lyp BrOH+ 2 vxc OK > * hyb_gga_xc_camh_b3lyp BrOH+ 1 exc OK > * hyb_gga_xc_camh_b3lyp BrOH+ 1 vxc OK > * hyb_gga_xc_camh_b3lyp BrOH 2 exc OK > * hyb_gga_xc_camh_b3lyp BrOH 2 vxc OK > * hyb_gga_xc_camh_b3lyp BrOH 1 exc OK > * hyb_gga_xc_camh_b3lyp BrOH 1 vxc OK > * hyb_gga_xc_camh_b3lyp H 2 exc OK > * hyb_gga_xc_camh_b3lyp H 2 vxc OK > * hyb_gga_xc_camh_b3lyp H 1 exc OK > * hyb_gga_xc_camh_b3lyp H 1 vxc OK > * hyb_gga_xc_camh_b3lyp Li 2 exc OK > * hyb_gga_xc_camh_b3lyp Li 2 vxc OK > * hyb_gga_xc_camh_b3lyp Li 1 exc OK > * hyb_gga_xc_camh_b3lyp Li 1 vxc OK > * hyb_gga_xc_camy_b3lyp BrOH+ 2 exc OK > * hyb_gga_xc_camy_b3lyp BrOH+ 2 vxc OK > * hyb_gga_xc_camy_b3lyp BrOH+ 1 exc OK > * hyb_gga_xc_camy_b3lyp BrOH+ 1 vxc OK > * hyb_gga_xc_camy_b3lyp BrOH 2 exc OK > * hyb_gga_xc_camy_b3lyp BrOH 2 vxc OK > * hyb_gga_xc_camy_b3lyp BrOH 1 exc OK > * hyb_gga_xc_camy_b3lyp BrOH 1 vxc OK > * hyb_gga_xc_camy_b3lyp H 1 exc OK > * hyb_gga_xc_camy_b3lyp H 1 vxc OK > * hyb_gga_xc_camy_b3lyp Li 2 exc OK > * hyb_gga_xc_camy_b3lyp Li 2 vxc OK > * hyb_gga_xc_camy_b3lyp Li 1 exc OK > * hyb_gga_xc_camy_b3lyp Li 1 vxc OK > * hyb_gga_xc_camy_blyp BrOH+ 2 exc OK > * hyb_gga_xc_camy_blyp BrOH+ 1 exc OK > * hyb_gga_xc_camy_blyp BrOH 2 exc OK > * hyb_gga_xc_camy_blyp BrOH 2 vxc OK > * hyb_gga_xc_camy_blyp BrOH 1 exc OK > * hyb_gga_xc_camy_blyp BrOH 1 vxc OK > * hyb_gga_xc_camy_blyp H 1 exc OK > * hyb_gga_xc_camy_blyp H 1 vxc OK > * hyb_gga_xc_camy_blyp Li 2 exc OK > * hyb_gga_xc_camy_blyp Li 1 exc OK > * hyb_gga_xc_camy_pbeh BrOH+ 2 exc OK > * hyb_gga_xc_camy_pbeh BrOH+ 2 vxc OK > * hyb_gga_xc_camy_pbeh BrOH+ 1 exc OK > * hyb_gga_xc_camy_pbeh BrOH+ 1 vxc OK > * hyb_gga_xc_camy_pbeh BrOH 2 exc OK > * hyb_gga_xc_camy_pbeh BrOH 2 vxc OK > * hyb_gga_xc_camy_pbeh BrOH 1 exc OK > * hyb_gga_xc_camy_pbeh BrOH 1 vxc OK > * hyb_gga_xc_camy_pbeh H 2 exc OK > * hyb_gga_xc_camy_pbeh H 2 vxc OK > * hyb_gga_xc_camy_pbeh H 1 exc OK > * hyb_gga_xc_camy_pbeh H 1 vxc OK > * hyb_gga_xc_camy_pbeh Li 2 exc OK > * hyb_gga_xc_camy_pbeh Li 2 vxc OK > * hyb_gga_xc_camy_pbeh Li 1 exc OK > * hyb_gga_xc_camy_pbeh Li 1 vxc OK > * hyb_gga_xc_cap0 BrOH+ 2 exc OK > * hyb_gga_xc_cap0 BrOH+ 2 vxc OK > * hyb_gga_xc_cap0 BrOH+ 1 exc OK > * hyb_gga_xc_cap0 BrOH+ 1 vxc OK > * hyb_gga_xc_cap0 BrOH 2 exc OK > * hyb_gga_xc_cap0 BrOH 2 vxc OK > * hyb_gga_xc_cap0 BrOH 1 exc OK > * hyb_gga_xc_cap0 BrOH 1 vxc OK > * hyb_gga_xc_cap0 H 2 exc OK > * hyb_gga_xc_cap0 H 2 vxc OK > * hyb_gga_xc_cap0 H 1 exc OK > * hyb_gga_xc_cap0 H 1 vxc OK > * hyb_gga_xc_cap0 Li 2 exc OK > * hyb_gga_xc_cap0 Li 2 vxc OK > * hyb_gga_xc_cap0 Li 1 exc OK > * hyb_gga_xc_cap0 Li 1 vxc OK > * hyb_gga_xc_edf2 BrOH+ 2 exc OK > * hyb_gga_xc_edf2 BrOH+ 2 vxc OK > * hyb_gga_xc_edf2 BrOH+ 1 exc OK > * hyb_gga_xc_edf2 BrOH+ 1 vxc OK > * hyb_gga_xc_edf2 BrOH 2 exc OK > * hyb_gga_xc_edf2 BrOH 2 vxc OK > * hyb_gga_xc_edf2 BrOH 1 exc OK > * hyb_gga_xc_edf2 BrOH 1 vxc OK > * hyb_gga_xc_edf2 H 1 exc OK > * hyb_gga_xc_edf2 H 1 vxc OK > * hyb_gga_xc_edf2 Li 2 exc OK > * hyb_gga_xc_edf2 Li 2 vxc OK > * hyb_gga_xc_edf2 Li 1 exc OK > * hyb_gga_xc_edf2 Li 1 vxc OK > * hyb_gga_xc_hapbe BrOH+ 2 exc OK > * hyb_gga_xc_hapbe BrOH+ 2 vxc OK > * hyb_gga_xc_hapbe BrOH+ 1 exc OK > * hyb_gga_xc_hapbe BrOH+ 1 vxc OK > * hyb_gga_xc_hapbe BrOH 2 exc OK > * hyb_gga_xc_hapbe BrOH 2 vxc OK > * hyb_gga_xc_hapbe BrOH 1 exc OK > * hyb_gga_xc_hapbe BrOH 1 vxc OK > * hyb_gga_xc_hapbe H 2 exc OK > * hyb_gga_xc_hapbe H 2 vxc OK > * hyb_gga_xc_hapbe H 1 exc OK > * hyb_gga_xc_hapbe H 1 vxc OK > * hyb_gga_xc_hapbe Li 2 exc OK > * hyb_gga_xc_hapbe Li 2 vxc OK > * hyb_gga_xc_hapbe Li 1 exc OK > * hyb_gga_xc_hapbe Li 1 vxc OK > * hyb_gga_xc_hflyp BrOH+ 2 exc OK > * hyb_gga_xc_hflyp BrOH+ 2 vxc OK > * hyb_gga_xc_hflyp BrOH+ 1 exc OK > * hyb_gga_xc_hflyp BrOH+ 1 vxc OK > * hyb_gga_xc_hflyp BrOH 2 exc OK > * hyb_gga_xc_hflyp BrOH 2 vxc OK > * hyb_gga_xc_hflyp BrOH 1 exc OK > * hyb_gga_xc_hflyp BrOH 1 vxc OK > * hyb_gga_xc_hflyp H 2 exc OK > * hyb_gga_xc_hflyp H 2 vxc OK > * hyb_gga_xc_hflyp H 1 exc OK > * hyb_gga_xc_hflyp H 1 vxc OK > * hyb_gga_xc_hflyp Li 2 exc OK > * hyb_gga_xc_hflyp Li 2 vxc OK > * hyb_gga_xc_hflyp Li 1 exc OK > * hyb_gga_xc_hflyp Li 1 vxc OK > * hyb_gga_xc_hjs_b88 BrOH+ 2 exc OK > * hyb_gga_xc_hjs_b88 BrOH+ 2 vxc OK > * hyb_gga_xc_hjs_b88 BrOH+ 1 exc OK > * hyb_gga_xc_hjs_b88 BrOH+ 1 vxc OK > * hyb_gga_xc_hjs_b88 BrOH 2 exc OK > * hyb_gga_xc_hjs_b88 BrOH 2 vxc OK > * hyb_gga_xc_hjs_b88 BrOH 1 exc OK > * hyb_gga_xc_hjs_b88 BrOH 1 vxc OK > * hyb_gga_xc_hjs_b88 H 2 exc OK > * hyb_gga_xc_hjs_b88 H 2 vxc OK > * hyb_gga_xc_hjs_b88 H 1 exc OK > * hyb_gga_xc_hjs_b88 H 1 vxc OK > * hyb_gga_xc_hjs_b88 Li 2 exc OK > * hyb_gga_xc_hjs_b88 Li 2 vxc OK > * hyb_gga_xc_hjs_b88 Li 1 exc OK > * hyb_gga_xc_hjs_b88 Li 1 vxc OK > * hyb_gga_xc_hjs_b97x BrOH+ 2 exc OK > * hyb_gga_xc_hjs_b97x BrOH+ 2 vxc OK > * hyb_gga_xc_hjs_b97x BrOH+ 1 exc OK > * hyb_gga_xc_hjs_b97x BrOH+ 1 vxc OK > * hyb_gga_xc_hjs_b97x BrOH 2 exc OK > * hyb_gga_xc_hjs_b97x BrOH 2 vxc OK > * hyb_gga_xc_hjs_b97x BrOH 1 exc OK > * hyb_gga_xc_hjs_b97x BrOH 1 vxc OK > * hyb_gga_xc_hjs_b97x H 2 exc OK > * hyb_gga_xc_hjs_b97x H 2 vxc OK > * hyb_gga_xc_hjs_b97x H 1 exc OK > * hyb_gga_xc_hjs_b97x H 1 vxc OK > * hyb_gga_xc_hjs_b97x Li 2 exc OK > * hyb_gga_xc_hjs_b97x Li 2 vxc OK > * hyb_gga_xc_hjs_b97x Li 1 exc OK > * hyb_gga_xc_hjs_b97x Li 1 vxc OK > * hyb_gga_xc_hjs_pbe BrOH+ 2 exc OK > * hyb_gga_xc_hjs_pbe BrOH+ 2 vxc OK > * hyb_gga_xc_hjs_pbe BrOH+ 1 exc OK > * hyb_gga_xc_hjs_pbe BrOH+ 1 vxc OK > * hyb_gga_xc_hjs_pbe BrOH 2 exc OK > * hyb_gga_xc_hjs_pbe BrOH 2 vxc OK > * hyb_gga_xc_hjs_pbe BrOH 1 exc OK > * hyb_gga_xc_hjs_pbe BrOH 1 vxc OK > * hyb_gga_xc_hjs_pbe H 2 exc OK > * hyb_gga_xc_hjs_pbe H 2 vxc OK > * hyb_gga_xc_hjs_pbe H 1 exc OK > * hyb_gga_xc_hjs_pbe H 1 vxc OK > * hyb_gga_xc_hjs_pbe Li 2 exc OK > * hyb_gga_xc_hjs_pbe Li 2 vxc OK > * hyb_gga_xc_hjs_pbe Li 1 exc OK > * hyb_gga_xc_hjs_pbe Li 1 vxc OK > * hyb_gga_xc_hjs_pbe_sol BrOH+ 2 exc OK > * hyb_gga_xc_hjs_pbe_sol BrOH+ 2 vxc OK > * hyb_gga_xc_hjs_pbe_sol BrOH+ 1 exc OK > * hyb_gga_xc_hjs_pbe_sol BrOH+ 1 vxc OK > * hyb_gga_xc_hjs_pbe_sol BrOH 2 exc OK > * hyb_gga_xc_hjs_pbe_sol BrOH 2 vxc OK > * hyb_gga_xc_hjs_pbe_sol BrOH 1 exc OK > * hyb_gga_xc_hjs_pbe_sol BrOH 1 vxc OK > * hyb_gga_xc_hjs_pbe_sol H 2 exc OK > * hyb_gga_xc_hjs_pbe_sol H 2 vxc OK > * hyb_gga_xc_hjs_pbe_sol H 1 exc OK > * hyb_gga_xc_hjs_pbe_sol H 1 vxc OK > * hyb_gga_xc_hjs_pbe_sol Li 2 exc OK > * hyb_gga_xc_hjs_pbe_sol Li 2 vxc OK > * hyb_gga_xc_hjs_pbe_sol Li 1 exc OK > * hyb_gga_xc_hjs_pbe_sol Li 1 vxc OK > * hyb_gga_xc_hpbeint BrOH+ 2 exc OK > * hyb_gga_xc_hpbeint BrOH+ 2 vxc OK > * hyb_gga_xc_hpbeint BrOH+ 1 exc OK > * hyb_gga_xc_hpbeint BrOH+ 1 vxc OK > * hyb_gga_xc_hpbeint BrOH 2 exc OK > * hyb_gga_xc_hpbeint BrOH 2 vxc OK > * hyb_gga_xc_hpbeint BrOH 1 exc OK > * hyb_gga_xc_hpbeint BrOH 1 vxc OK > * hyb_gga_xc_hpbeint H 2 exc OK > * hyb_gga_xc_hpbeint H 2 vxc OK > * hyb_gga_xc_hpbeint H 1 exc OK > * hyb_gga_xc_hpbeint H 1 vxc OK > * hyb_gga_xc_hpbeint Li 2 exc OK > * hyb_gga_xc_hpbeint Li 2 vxc OK > * hyb_gga_xc_hpbeint Li 1 exc OK > * hyb_gga_xc_hpbeint Li 1 vxc OK > * hyb_gga_xc_hse03 BrOH+ 2 exc OK > * hyb_gga_xc_hse03 BrOH+ 2 vxc OK > * hyb_gga_xc_hse03 BrOH+ 1 exc OK > * hyb_gga_xc_hse03 BrOH+ 1 vxc OK > * hyb_gga_xc_hse03 BrOH 2 exc OK > * hyb_gga_xc_hse03 BrOH 2 vxc OK > * hyb_gga_xc_hse03 BrOH 1 exc OK > * hyb_gga_xc_hse03 BrOH 1 vxc OK > * hyb_gga_xc_hse03 H 2 exc OK > * hyb_gga_xc_hse03 H 2 vxc OK > * hyb_gga_xc_hse03 H 1 exc OK > * hyb_gga_xc_hse03 H 1 vxc OK > * hyb_gga_xc_hse03 Li 2 exc OK > * hyb_gga_xc_hse03 Li 2 vxc OK > * hyb_gga_xc_hse03 Li 1 exc OK > * hyb_gga_xc_hse03 Li 1 vxc OK > * hyb_gga_xc_hse06 BrOH+ 2 exc OK > * hyb_gga_xc_hse06 BrOH+ 2 vxc OK > * hyb_gga_xc_hse06 BrOH+ 1 exc OK > * hyb_gga_xc_hse06 BrOH+ 1 vxc OK > * hyb_gga_xc_hse06 BrOH 2 exc OK > * hyb_gga_xc_hse06 BrOH 2 vxc OK > * hyb_gga_xc_hse06 BrOH 1 exc OK > * hyb_gga_xc_hse06 BrOH 1 vxc OK > * hyb_gga_xc_hse06 H 2 exc OK > * hyb_gga_xc_hse06 H 2 vxc OK > * hyb_gga_xc_hse06 H 1 exc OK > * hyb_gga_xc_hse06 H 1 vxc OK > * hyb_gga_xc_hse06 Li 2 exc OK > * hyb_gga_xc_hse06 Li 2 vxc OK > * hyb_gga_xc_hse06 Li 1 exc OK > * hyb_gga_xc_hse06 Li 1 vxc OK > * hyb_gga_xc_hse12 BrOH+ 2 exc OK > * hyb_gga_xc_hse12 BrOH+ 2 vxc OK > * hyb_gga_xc_hse12 BrOH+ 1 exc OK > * hyb_gga_xc_hse12 BrOH+ 1 vxc OK > * hyb_gga_xc_hse12 BrOH 2 exc OK > * hyb_gga_xc_hse12 BrOH 2 vxc OK > * hyb_gga_xc_hse12 BrOH 1 exc OK > * hyb_gga_xc_hse12 BrOH 1 vxc OK > * hyb_gga_xc_hse12 H 2 exc OK > * hyb_gga_xc_hse12 H 2 vxc OK > * hyb_gga_xc_hse12 H 1 exc OK > * hyb_gga_xc_hse12 H 1 vxc OK > * hyb_gga_xc_hse12 Li 2 exc OK > * hyb_gga_xc_hse12 Li 2 vxc OK > * hyb_gga_xc_hse12 Li 1 exc OK > * hyb_gga_xc_hse12 Li 1 vxc OK > * hyb_gga_xc_hse12s BrOH+ 2 exc OK > * hyb_gga_xc_hse12s BrOH+ 2 vxc OK > * hyb_gga_xc_hse12s BrOH+ 1 exc OK > * hyb_gga_xc_hse12s BrOH+ 1 vxc OK > * hyb_gga_xc_hse12s BrOH 2 exc OK > * hyb_gga_xc_hse12s BrOH 2 vxc OK > * hyb_gga_xc_hse12s BrOH 1 exc OK > * hyb_gga_xc_hse12s BrOH 1 vxc OK > * hyb_gga_xc_hse12s H 2 exc OK > * hyb_gga_xc_hse12s H 2 vxc OK > * hyb_gga_xc_hse12s H 1 exc OK > * hyb_gga_xc_hse12s H 1 vxc OK > * hyb_gga_xc_hse12s Li 2 exc OK > * hyb_gga_xc_hse12s Li 2 vxc OK > * hyb_gga_xc_hse12s Li 1 exc OK > * hyb_gga_xc_hse12s Li 1 vxc OK > * hyb_gga_xc_hse_sol BrOH+ 2 exc OK > * hyb_gga_xc_hse_sol BrOH+ 2 vxc OK > * hyb_gga_xc_hse_sol BrOH+ 1 exc OK > * hyb_gga_xc_hse_sol BrOH+ 1 vxc OK > * hyb_gga_xc_hse_sol BrOH 2 exc OK > * hyb_gga_xc_hse_sol BrOH 2 vxc OK > * hyb_gga_xc_hse_sol BrOH 1 exc OK > * hyb_gga_xc_hse_sol BrOH 1 vxc OK > * hyb_gga_xc_hse_sol H 2 exc OK > * hyb_gga_xc_hse_sol H 2 vxc OK > * hyb_gga_xc_hse_sol H 1 exc OK > * hyb_gga_xc_hse_sol H 1 vxc OK > * hyb_gga_xc_hse_sol Li 2 exc OK > * hyb_gga_xc_hse_sol Li 2 vxc OK > * hyb_gga_xc_hse_sol Li 1 exc OK > * hyb_gga_xc_hse_sol Li 1 vxc OK > * hyb_gga_xc_kmlyp BrOH+ 2 exc OK > * hyb_gga_xc_kmlyp BrOH+ 2 vxc OK > * hyb_gga_xc_kmlyp BrOH+ 1 exc OK > * hyb_gga_xc_kmlyp BrOH+ 1 vxc OK > * hyb_gga_xc_kmlyp BrOH 2 exc OK > * hyb_gga_xc_kmlyp BrOH 2 vxc OK > * hyb_gga_xc_kmlyp BrOH 1 exc OK > * hyb_gga_xc_kmlyp BrOH 1 vxc OK > * hyb_gga_xc_kmlyp H 1 exc OK > * hyb_gga_xc_kmlyp H 1 vxc OK > * hyb_gga_xc_kmlyp Li 2 exc OK > * hyb_gga_xc_kmlyp Li 2 vxc OK > * hyb_gga_xc_kmlyp Li 1 exc OK > * hyb_gga_xc_kmlyp Li 1 vxc OK > * hyb_gga_xc_lb07 BrOH+ 2 exc OK > * hyb_gga_xc_lb07 BrOH+ 2 vxc OK > * hyb_gga_xc_lb07 BrOH+ 1 exc OK > * hyb_gga_xc_lb07 BrOH+ 1 vxc OK > * hyb_gga_xc_lb07 BrOH 2 exc OK > * hyb_gga_xc_lb07 BrOH 2 vxc OK > * hyb_gga_xc_lb07 BrOH 1 exc OK > * hyb_gga_xc_lb07 BrOH 1 vxc OK > * hyb_gga_xc_lb07 H 1 exc OK > * hyb_gga_xc_lb07 H 1 vxc OK > * hyb_gga_xc_lb07 Li 2 exc OK > * hyb_gga_xc_lb07 Li 2 vxc OK > * hyb_gga_xc_lb07 Li 1 exc OK > * hyb_gga_xc_lb07 Li 1 vxc OK > * hyb_gga_xc_lc_blyp BrOH+ 2 exc OK > * hyb_gga_xc_lc_blyp BrOH+ 2 vxc OK > * hyb_gga_xc_lc_blyp BrOH+ 1 exc OK > * hyb_gga_xc_lc_blyp BrOH+ 1 vxc OK > * hyb_gga_xc_lc_blyp BrOH 2 exc OK > * hyb_gga_xc_lc_blyp BrOH 2 vxc OK > * hyb_gga_xc_lc_blyp BrOH 1 exc OK > * hyb_gga_xc_lc_blyp BrOH 1 vxc OK > * hyb_gga_xc_lc_blyp H 2 exc OK > * hyb_gga_xc_lc_blyp H 2 vxc OK > * hyb_gga_xc_lc_blyp H 1 exc OK > * hyb_gga_xc_lc_blyp H 1 vxc OK > * hyb_gga_xc_lc_blyp Li 2 exc OK > * hyb_gga_xc_lc_blyp Li 2 vxc OK > * hyb_gga_xc_lc_blyp Li 1 exc OK > * hyb_gga_xc_lc_blyp Li 1 vxc OK > * hyb_gga_xc_lc_blyp_ea BrOH+ 2 exc OK > * hyb_gga_xc_lc_blyp_ea BrOH+ 2 vxc OK > * hyb_gga_xc_lc_blyp_ea BrOH+ 1 exc OK > * hyb_gga_xc_lc_blyp_ea BrOH+ 1 vxc OK > * hyb_gga_xc_lc_blyp_ea BrOH 2 exc OK > * hyb_gga_xc_lc_blyp_ea BrOH 2 vxc OK > * hyb_gga_xc_lc_blyp_ea BrOH 1 exc OK > * hyb_gga_xc_lc_blyp_ea BrOH 1 vxc OK > * hyb_gga_xc_lc_blyp_ea H 2 exc OK > * hyb_gga_xc_lc_blyp_ea H 2 vxc OK > * hyb_gga_xc_lc_blyp_ea H 1 exc OK > * hyb_gga_xc_lc_blyp_ea H 1 vxc OK > * hyb_gga_xc_lc_blyp_ea Li 2 exc OK > * hyb_gga_xc_lc_blyp_ea Li 2 vxc OK > * hyb_gga_xc_lc_blyp_ea Li 1 exc OK > * hyb_gga_xc_lc_blyp_ea Li 1 vxc OK > * hyb_gga_xc_lc_blypr BrOH+ 2 exc OK > * hyb_gga_xc_lc_blypr BrOH+ 2 vxc OK > * hyb_gga_xc_lc_blypr BrOH+ 1 exc OK > * hyb_gga_xc_lc_blypr BrOH+ 1 vxc OK > * hyb_gga_xc_lc_blypr BrOH 2 exc OK > * hyb_gga_xc_lc_blypr BrOH 2 vxc OK > * hyb_gga_xc_lc_blypr BrOH 1 exc OK > * hyb_gga_xc_lc_blypr BrOH 1 vxc OK > * hyb_gga_xc_lc_blypr H 2 exc OK > * hyb_gga_xc_lc_blypr H 2 vxc OK > * hyb_gga_xc_lc_blypr H 1 exc OK > * hyb_gga_xc_lc_blypr H 1 vxc OK > * hyb_gga_xc_lc_blypr Li 2 exc OK > * hyb_gga_xc_lc_blypr Li 2 vxc OK > * hyb_gga_xc_lc_blypr Li 1 exc OK > * hyb_gga_xc_lc_blypr Li 1 vxc OK > * hyb_gga_xc_lc_bop BrOH+ 2 exc OK > * hyb_gga_xc_lc_bop BrOH+ 2 vxc OK > * hyb_gga_xc_lc_bop BrOH+ 1 exc OK > * hyb_gga_xc_lc_bop BrOH+ 1 vxc OK > * hyb_gga_xc_lc_bop BrOH 2 exc OK > * hyb_gga_xc_lc_bop BrOH 2 vxc OK > * hyb_gga_xc_lc_bop BrOH 1 exc OK > * hyb_gga_xc_lc_bop BrOH 1 vxc OK > * hyb_gga_xc_lc_bop H 2 exc >2 0 -3.9677257100e-01 -3.9677057903e-01 1.426127e-06 > >3 0 -3.4684112010e-01 -3.4683912779e-01 1.479244e-06 > >4 0 -1.4266961843e-01 -1.4266762557e-01 1.744040e-06 > >6 0 -2.6030024514e-06 -6.0894853316e-07 1.994049e-06 > FAIL > * hyb_gga_xc_lc_bop H 2 vxc >2 1 -2.1185412405e+07 -1.4112916349e-02 1.000000e+00 > >2 4 1.1028760502e+29 0.0000000000e+00 1.000000e+00 > >3 1 -1.5267826232e+07 -1.2357627813e-02 9.999999e-01 > >3 4 7.9517269316e+28 0.0000000000e+00 1.000000e+00 > >4 1 -3.0539556851e+06 -9.0215606165e-03 9.999997e-01 > >4 4 1.5915091139e+28 0.0000000000e+00 1.000000e+00 > >6 1 -6.0879514699e+00 -1.5160823041e-06 8.589153e-01 > >6 2 1.1553745602e-03 -6.9080762069e-06 1.160941e-03 > >6 4 3.1703976566e+22 0.0000000000e+00 1.000000e+00 > FAIL > * hyb_gga_xc_lc_bop H 1 exc OK > * hyb_gga_xc_lc_bop H 1 vxc OK > * hyb_gga_xc_lc_bop Li 2 exc OK > * hyb_gga_xc_lc_bop Li 2 vxc OK > * hyb_gga_xc_lc_bop Li 1 exc OK > * hyb_gga_xc_lc_bop Li 1 vxc OK > * hyb_gga_xc_lc_pbeop BrOH+ 2 exc OK > * hyb_gga_xc_lc_pbeop BrOH+ 2 vxc OK > * hyb_gga_xc_lc_pbeop BrOH+ 1 exc OK > * hyb_gga_xc_lc_pbeop BrOH+ 1 vxc OK > * hyb_gga_xc_lc_pbeop BrOH 2 exc OK > * hyb_gga_xc_lc_pbeop BrOH 2 vxc OK > * hyb_gga_xc_lc_pbeop BrOH 1 exc OK > * hyb_gga_xc_lc_pbeop BrOH 1 vxc OK > * hyb_gga_xc_lc_pbeop H 2 exc >2 0 -4.5555746787e-01 -4.5555549255e-01 1.357086e-06 > >3 0 -4.0489359818e-01 -4.0489162253e-01 1.406261e-06 > >4 0 -1.8918633258e-01 -1.8918435638e-01 1.661806e-06 > >6 0 -3.2217763241e-06 -1.2349842557e-06 1.986786e-06 > FAIL > * hyb_gga_xc_lc_pbeop H 2 vxc >2 1 -2.0774912470e+07 -1.3922943370e-02 1.000000e+00 > >2 4 9.0514472018e+28 0.0000000000e+00 1.000000e+00 > >3 1 -1.4971922177e+07 -1.2344958436e-02 9.999999e-01 > >3 4 6.5260867328e+28 0.0000000000e+00 1.000000e+00 > >4 1 -2.9947485116e+06 -9.0351067364e-03 9.999997e-01 > >4 4 1.3061726062e+28 0.0000000000e+00 1.000000e+00 > >6 1 -6.0245943719e+00 -1.2125181431e-04 8.576258e-01 > >6 4 2.6081819546e+22 0.0000000000e+00 1.000000e+00 > FAIL > * hyb_gga_xc_lc_pbeop H 1 exc OK > * hyb_gga_xc_lc_pbeop H 1 vxc OK > * hyb_gga_xc_lc_pbeop Li 2 exc OK > * hyb_gga_xc_lc_pbeop Li 2 vxc OK > * hyb_gga_xc_lc_pbeop Li 1 exc OK > * hyb_gga_xc_lc_pbeop Li 1 vxc OK > * hyb_gga_xc_lc_qtp BrOH 2 exc OK > * hyb_gga_xc_lc_qtp BrOH 2 vxc OK > * hyb_gga_xc_lc_qtp BrOH 1 exc OK > * hyb_gga_xc_lc_qtp BrOH 1 vxc OK > * hyb_gga_xc_lc_qtp H 1 exc OK > * hyb_gga_xc_lc_qtp H 1 vxc OK > * hyb_gga_xc_lc_qtp Li 2 exc OK > * hyb_gga_xc_lc_qtp Li 1 exc OK > * hyb_gga_xc_lc_vv10 BrOH+ 2 exc OK > * hyb_gga_xc_lc_vv10 BrOH+ 2 vxc OK > * hyb_gga_xc_lc_vv10 BrOH+ 1 exc OK > * hyb_gga_xc_lc_vv10 BrOH+ 1 vxc OK > * hyb_gga_xc_lc_vv10 BrOH 2 exc OK > * hyb_gga_xc_lc_vv10 BrOH 2 vxc OK > * hyb_gga_xc_lc_vv10 BrOH 1 exc OK > * hyb_gga_xc_lc_vv10 BrOH 1 vxc OK > * hyb_gga_xc_lc_vv10 H 2 exc OK > * hyb_gga_xc_lc_vv10 H 1 exc OK > * hyb_gga_xc_lc_vv10 H 1 vxc OK > * hyb_gga_xc_lc_vv10 Li 2 exc OK > * hyb_gga_xc_lc_vv10 Li 2 vxc OK > * hyb_gga_xc_lc_vv10 Li 1 exc OK > * hyb_gga_xc_lc_vv10 Li 1 vxc OK > * hyb_gga_xc_lc_wpbe BrOH+ 2 exc OK > * hyb_gga_xc_lc_wpbe BrOH+ 2 vxc OK > * hyb_gga_xc_lc_wpbe BrOH+ 1 exc OK > * hyb_gga_xc_lc_wpbe BrOH+ 1 vxc OK > * hyb_gga_xc_lc_wpbe BrOH 2 exc OK > * hyb_gga_xc_lc_wpbe BrOH 2 vxc OK > * hyb_gga_xc_lc_wpbe BrOH 1 exc OK > * hyb_gga_xc_lc_wpbe BrOH 1 vxc OK > * hyb_gga_xc_lc_wpbe H 2 exc OK > * hyb_gga_xc_lc_wpbe H 2 vxc OK > * hyb_gga_xc_lc_wpbe H 1 exc OK > * hyb_gga_xc_lc_wpbe H 1 vxc OK > * hyb_gga_xc_lc_wpbe Li 2 exc OK > * hyb_gga_xc_lc_wpbe Li 2 vxc OK > * hyb_gga_xc_lc_wpbe Li 1 exc OK > * hyb_gga_xc_lc_wpbe Li 1 vxc OK > * hyb_gga_xc_lc_wpbe08_whs BrOH+ 2 exc OK > * hyb_gga_xc_lc_wpbe08_whs BrOH+ 2 vxc OK > * hyb_gga_xc_lc_wpbe08_whs BrOH+ 1 exc OK > * hyb_gga_xc_lc_wpbe08_whs BrOH+ 1 vxc OK > * hyb_gga_xc_lc_wpbe08_whs BrOH 2 exc OK > * hyb_gga_xc_lc_wpbe08_whs BrOH 2 vxc OK > * hyb_gga_xc_lc_wpbe08_whs BrOH 1 exc OK > * hyb_gga_xc_lc_wpbe08_whs BrOH 1 vxc OK > * hyb_gga_xc_lc_wpbe08_whs H 2 exc OK > * hyb_gga_xc_lc_wpbe08_whs H 1 exc OK > * hyb_gga_xc_lc_wpbe08_whs H 1 vxc OK > * hyb_gga_xc_lc_wpbe08_whs Li 2 exc OK > * hyb_gga_xc_lc_wpbe08_whs Li 2 vxc OK > * hyb_gga_xc_lc_wpbe08_whs Li 1 exc OK > * hyb_gga_xc_lc_wpbe08_whs Li 1 vxc OK > * hyb_gga_xc_lc_wpbe_whs BrOH+ 2 exc OK > * hyb_gga_xc_lc_wpbe_whs BrOH+ 2 vxc OK > * hyb_gga_xc_lc_wpbe_whs BrOH+ 1 exc OK > * hyb_gga_xc_lc_wpbe_whs BrOH+ 1 vxc OK > * hyb_gga_xc_lc_wpbe_whs BrOH 2 exc OK > * hyb_gga_xc_lc_wpbe_whs BrOH 2 vxc OK > * hyb_gga_xc_lc_wpbe_whs BrOH 1 exc OK > * hyb_gga_xc_lc_wpbe_whs BrOH 1 vxc OK > * hyb_gga_xc_lc_wpbe_whs H 2 exc OK > * hyb_gga_xc_lc_wpbe_whs H 1 exc OK > * hyb_gga_xc_lc_wpbe_whs H 1 vxc OK > * hyb_gga_xc_lc_wpbe_whs Li 2 exc OK > * hyb_gga_xc_lc_wpbe_whs Li 2 vxc OK > * hyb_gga_xc_lc_wpbe_whs Li 1 exc OK > * hyb_gga_xc_lc_wpbe_whs Li 1 vxc OK > * hyb_gga_xc_lc_wpbeh_whs BrOH+ 2 exc OK > * hyb_gga_xc_lc_wpbeh_whs BrOH+ 2 vxc OK > * hyb_gga_xc_lc_wpbeh_whs BrOH+ 1 exc OK > * hyb_gga_xc_lc_wpbeh_whs BrOH+ 1 vxc OK > * hyb_gga_xc_lc_wpbeh_whs BrOH 2 exc OK > * hyb_gga_xc_lc_wpbeh_whs BrOH 2 vxc OK > * hyb_gga_xc_lc_wpbeh_whs BrOH 1 exc OK > * hyb_gga_xc_lc_wpbeh_whs BrOH 1 vxc OK > * hyb_gga_xc_lc_wpbeh_whs H 2 exc OK > * hyb_gga_xc_lc_wpbeh_whs H 1 exc OK > * hyb_gga_xc_lc_wpbeh_whs H 1 vxc OK > * hyb_gga_xc_lc_wpbeh_whs Li 2 exc OK > * hyb_gga_xc_lc_wpbeh_whs Li 2 vxc OK > * hyb_gga_xc_lc_wpbeh_whs Li 1 exc OK > * hyb_gga_xc_lc_wpbeh_whs Li 1 vxc OK > * hyb_gga_xc_lc_wpbesol_whs BrOH+ 2 exc OK > * hyb_gga_xc_lc_wpbesol_whs BrOH+ 2 vxc OK > * hyb_gga_xc_lc_wpbesol_whs BrOH+ 1 exc OK > * hyb_gga_xc_lc_wpbesol_whs BrOH+ 1 vxc OK > * hyb_gga_xc_lc_wpbesol_whs BrOH 2 exc OK > * hyb_gga_xc_lc_wpbesol_whs BrOH 2 vxc OK > * hyb_gga_xc_lc_wpbesol_whs BrOH 1 exc OK > * hyb_gga_xc_lc_wpbesol_whs BrOH 1 vxc OK > * hyb_gga_xc_lc_wpbesol_whs H 2 exc OK > * hyb_gga_xc_lc_wpbesol_whs H 1 exc OK > * hyb_gga_xc_lc_wpbesol_whs H 1 vxc OK > * hyb_gga_xc_lc_wpbesol_whs Li 2 exc OK > * hyb_gga_xc_lc_wpbesol_whs Li 2 vxc OK > * hyb_gga_xc_lc_wpbesol_whs Li 1 exc OK > * hyb_gga_xc_lc_wpbesol_whs Li 1 vxc OK > * hyb_gga_xc_lcy_blyp BrOH+ 2 exc OK > * hyb_gga_xc_lcy_blyp BrOH+ 1 exc OK > * hyb_gga_xc_lcy_blyp BrOH 2 exc OK > * hyb_gga_xc_lcy_blyp BrOH 1 exc OK > * hyb_gga_xc_lcy_blyp H 1 exc OK > * hyb_gga_xc_lcy_blyp H 1 vxc OK > * hyb_gga_xc_lcy_blyp Li 2 exc OK > * hyb_gga_xc_lcy_blyp Li 1 exc OK > * hyb_gga_xc_lcy_pbe BrOH+ 2 exc OK > * hyb_gga_xc_lcy_pbe BrOH+ 2 vxc OK > * hyb_gga_xc_lcy_pbe BrOH+ 1 exc OK > * hyb_gga_xc_lcy_pbe BrOH+ 1 vxc OK > * hyb_gga_xc_lcy_pbe BrOH 2 exc OK > * hyb_gga_xc_lcy_pbe BrOH 2 vxc OK > * hyb_gga_xc_lcy_pbe BrOH 1 exc OK > * hyb_gga_xc_lcy_pbe BrOH 1 vxc OK > * hyb_gga_xc_lcy_pbe H 2 exc OK > * hyb_gga_xc_lcy_pbe H 2 vxc OK > * hyb_gga_xc_lcy_pbe H 1 exc OK > * hyb_gga_xc_lcy_pbe H 1 vxc OK > * hyb_gga_xc_lcy_pbe Li 2 exc OK > * hyb_gga_xc_lcy_pbe Li 2 vxc OK > * hyb_gga_xc_lcy_pbe Li 1 exc OK > * hyb_gga_xc_lcy_pbe Li 1 vxc OK > * hyb_gga_xc_lrc_wpbe BrOH+ 2 exc OK > * hyb_gga_xc_lrc_wpbe BrOH+ 2 vxc OK > * hyb_gga_xc_lrc_wpbe BrOH+ 1 exc OK > * hyb_gga_xc_lrc_wpbe BrOH+ 1 vxc OK > * hyb_gga_xc_lrc_wpbe BrOH 2 exc OK > * hyb_gga_xc_lrc_wpbe BrOH 2 vxc OK > * hyb_gga_xc_lrc_wpbe BrOH 1 exc OK > * hyb_gga_xc_lrc_wpbe BrOH 1 vxc OK > * hyb_gga_xc_lrc_wpbe H 2 exc OK > * hyb_gga_xc_lrc_wpbe H 1 exc OK > * hyb_gga_xc_lrc_wpbe H 1 vxc OK > * hyb_gga_xc_lrc_wpbe Li 2 exc OK > * hyb_gga_xc_lrc_wpbe Li 2 vxc OK > * hyb_gga_xc_lrc_wpbe Li 1 exc OK > * hyb_gga_xc_lrc_wpbe Li 1 vxc OK > * hyb_gga_xc_lrc_wpbeh BrOH+ 2 exc OK > * hyb_gga_xc_lrc_wpbeh BrOH+ 2 vxc OK > * hyb_gga_xc_lrc_wpbeh BrOH+ 1 exc OK > * hyb_gga_xc_lrc_wpbeh BrOH+ 1 vxc OK > * hyb_gga_xc_lrc_wpbeh BrOH 2 exc OK > * hyb_gga_xc_lrc_wpbeh BrOH 2 vxc OK > * hyb_gga_xc_lrc_wpbeh BrOH 1 exc OK > * hyb_gga_xc_lrc_wpbeh BrOH 1 vxc OK > * hyb_gga_xc_lrc_wpbeh H 2 exc OK > * hyb_gga_xc_lrc_wpbeh H 2 vxc OK > * hyb_gga_xc_lrc_wpbeh H 1 exc OK > * hyb_gga_xc_lrc_wpbeh H 1 vxc OK > * hyb_gga_xc_lrc_wpbeh Li 2 exc OK > * hyb_gga_xc_lrc_wpbeh Li 2 vxc OK > * hyb_gga_xc_lrc_wpbeh Li 1 exc OK > * hyb_gga_xc_lrc_wpbeh Li 1 vxc OK > * hyb_gga_xc_mb3lyp_rc04 BrOH+ 2 exc OK > * hyb_gga_xc_mb3lyp_rc04 BrOH+ 2 vxc OK > * hyb_gga_xc_mb3lyp_rc04 BrOH+ 1 exc OK > * hyb_gga_xc_mb3lyp_rc04 BrOH+ 1 vxc OK > * hyb_gga_xc_mb3lyp_rc04 BrOH 2 exc OK > * hyb_gga_xc_mb3lyp_rc04 BrOH 2 vxc OK > * hyb_gga_xc_mb3lyp_rc04 BrOH 1 exc OK > * hyb_gga_xc_mb3lyp_rc04 BrOH 1 vxc OK > * hyb_gga_xc_mb3lyp_rc04 H 1 exc OK > * hyb_gga_xc_mb3lyp_rc04 H 1 vxc OK > * hyb_gga_xc_mb3lyp_rc04 Li 2 exc OK > * hyb_gga_xc_mb3lyp_rc04 Li 2 vxc OK > * hyb_gga_xc_mb3lyp_rc04 Li 1 exc OK > * hyb_gga_xc_mb3lyp_rc04 Li 1 vxc OK > * hyb_gga_xc_mcam_b3lyp BrOH+ 2 exc OK > * hyb_gga_xc_mcam_b3lyp BrOH+ 2 vxc OK > * hyb_gga_xc_mcam_b3lyp BrOH+ 1 exc OK > * hyb_gga_xc_mcam_b3lyp BrOH+ 1 vxc OK > * hyb_gga_xc_mcam_b3lyp BrOH 2 exc OK > * hyb_gga_xc_mcam_b3lyp BrOH 2 vxc OK > * hyb_gga_xc_mcam_b3lyp BrOH 1 exc OK > * hyb_gga_xc_mcam_b3lyp BrOH 1 vxc OK > * hyb_gga_xc_mcam_b3lyp H 2 exc OK > * hyb_gga_xc_mcam_b3lyp H 2 vxc OK > * hyb_gga_xc_mcam_b3lyp H 1 exc OK > * hyb_gga_xc_mcam_b3lyp H 1 vxc OK > * hyb_gga_xc_mcam_b3lyp Li 2 exc OK > * hyb_gga_xc_mcam_b3lyp Li 2 vxc OK > * hyb_gga_xc_mcam_b3lyp Li 1 exc OK > * hyb_gga_xc_mcam_b3lyp Li 1 vxc OK > * hyb_gga_xc_mpw1k BrOH+ 2 exc OK > * hyb_gga_xc_mpw1k BrOH+ 2 vxc OK > * hyb_gga_xc_mpw1k BrOH+ 1 exc OK > * hyb_gga_xc_mpw1k BrOH+ 1 vxc OK > * hyb_gga_xc_mpw1k BrOH 2 exc OK > * hyb_gga_xc_mpw1k BrOH 2 vxc OK > * hyb_gga_xc_mpw1k BrOH 1 exc OK > * hyb_gga_xc_mpw1k BrOH 1 vxc OK > * hyb_gga_xc_mpw1k H 2 exc OK > * hyb_gga_xc_mpw1k H 2 vxc OK > * hyb_gga_xc_mpw1k H 1 exc OK > * hyb_gga_xc_mpw1k H 1 vxc OK > * hyb_gga_xc_mpw1k Li 2 exc OK > * hyb_gga_xc_mpw1k Li 2 vxc OK > * hyb_gga_xc_mpw1k Li 1 exc OK > * hyb_gga_xc_mpw1k Li 1 vxc OK > * hyb_gga_xc_mpw1lyp BrOH+ 2 exc OK > * hyb_gga_xc_mpw1lyp BrOH+ 2 vxc OK > * hyb_gga_xc_mpw1lyp BrOH+ 1 exc OK > * hyb_gga_xc_mpw1lyp BrOH+ 1 vxc OK > * hyb_gga_xc_mpw1lyp BrOH 2 exc OK > * hyb_gga_xc_mpw1lyp BrOH 2 vxc OK > * hyb_gga_xc_mpw1lyp BrOH 1 exc OK > * hyb_gga_xc_mpw1lyp BrOH 1 vxc OK > * hyb_gga_xc_mpw1lyp H 1 exc OK > * hyb_gga_xc_mpw1lyp H 1 vxc OK > * hyb_gga_xc_mpw1lyp Li 2 exc OK > * hyb_gga_xc_mpw1lyp Li 2 vxc OK > * hyb_gga_xc_mpw1lyp Li 1 exc OK > * hyb_gga_xc_mpw1lyp Li 1 vxc OK > * hyb_gga_xc_mpw1pbe BrOH+ 2 exc OK > * hyb_gga_xc_mpw1pbe BrOH+ 2 vxc OK > * hyb_gga_xc_mpw1pbe BrOH+ 1 exc OK > * hyb_gga_xc_mpw1pbe BrOH+ 1 vxc OK > * hyb_gga_xc_mpw1pbe BrOH 2 exc OK > * hyb_gga_xc_mpw1pbe BrOH 2 vxc OK > * hyb_gga_xc_mpw1pbe BrOH 1 exc OK > * hyb_gga_xc_mpw1pbe BrOH 1 vxc OK > * hyb_gga_xc_mpw1pbe H 2 exc OK > * hyb_gga_xc_mpw1pbe H 2 vxc OK > * hyb_gga_xc_mpw1pbe H 1 exc OK > * hyb_gga_xc_mpw1pbe H 1 vxc OK > * hyb_gga_xc_mpw1pbe Li 2 exc OK > * hyb_gga_xc_mpw1pbe Li 2 vxc OK > * hyb_gga_xc_mpw1pbe Li 1 exc OK > * hyb_gga_xc_mpw1pbe Li 1 vxc OK > * hyb_gga_xc_mpw1pw BrOH+ 2 exc OK > * hyb_gga_xc_mpw1pw BrOH+ 2 vxc OK > * hyb_gga_xc_mpw1pw BrOH+ 1 exc OK > * hyb_gga_xc_mpw1pw BrOH+ 1 vxc OK > * hyb_gga_xc_mpw1pw BrOH 2 exc OK > * hyb_gga_xc_mpw1pw BrOH 2 vxc OK > * hyb_gga_xc_mpw1pw BrOH 1 exc OK > * hyb_gga_xc_mpw1pw BrOH 1 vxc OK > * hyb_gga_xc_mpw1pw H 2 exc OK > * hyb_gga_xc_mpw1pw H 2 vxc OK > * hyb_gga_xc_mpw1pw H 1 exc OK > * hyb_gga_xc_mpw1pw H 1 vxc OK > * hyb_gga_xc_mpw1pw Li 2 exc OK > * hyb_gga_xc_mpw1pw Li 2 vxc OK > * hyb_gga_xc_mpw1pw Li 1 exc OK > * hyb_gga_xc_mpw1pw Li 1 vxc OK > * hyb_gga_xc_mpw3lyp BrOH+ 2 exc OK > * hyb_gga_xc_mpw3lyp BrOH+ 2 vxc OK > * hyb_gga_xc_mpw3lyp BrOH+ 1 exc OK > * hyb_gga_xc_mpw3lyp BrOH+ 1 vxc OK > * hyb_gga_xc_mpw3lyp BrOH 2 exc OK > * hyb_gga_xc_mpw3lyp BrOH 2 vxc OK > * hyb_gga_xc_mpw3lyp BrOH 1 exc OK > * hyb_gga_xc_mpw3lyp BrOH 1 vxc OK > * hyb_gga_xc_mpw3lyp H 1 exc OK > * hyb_gga_xc_mpw3lyp H 1 vxc OK > * hyb_gga_xc_mpw3lyp Li 2 exc OK > * hyb_gga_xc_mpw3lyp Li 2 vxc OK > * hyb_gga_xc_mpw3lyp Li 1 exc OK > * hyb_gga_xc_mpw3lyp Li 1 vxc OK > * hyb_gga_xc_mpw3pw BrOH+ 2 exc OK > * hyb_gga_xc_mpw3pw BrOH+ 2 vxc OK > * hyb_gga_xc_mpw3pw BrOH+ 1 exc OK > * hyb_gga_xc_mpw3pw BrOH+ 1 vxc OK > * hyb_gga_xc_mpw3pw BrOH 2 exc OK > * hyb_gga_xc_mpw3pw BrOH 2 vxc OK > * hyb_gga_xc_mpw3pw BrOH 1 exc OK > * hyb_gga_xc_mpw3pw BrOH 1 vxc OK > * hyb_gga_xc_mpw3pw H 2 exc OK > * hyb_gga_xc_mpw3pw H 2 vxc OK > * hyb_gga_xc_mpw3pw H 1 exc OK > * hyb_gga_xc_mpw3pw H 1 vxc OK > * hyb_gga_xc_mpw3pw Li 2 exc OK > * hyb_gga_xc_mpw3pw Li 2 vxc OK > * hyb_gga_xc_mpw3pw Li 1 exc OK > * hyb_gga_xc_mpw3pw Li 1 vxc OK > * hyb_gga_xc_mpwlyp1m BrOH+ 2 exc OK > * hyb_gga_xc_mpwlyp1m BrOH+ 2 vxc OK > * hyb_gga_xc_mpwlyp1m BrOH+ 1 exc OK > * hyb_gga_xc_mpwlyp1m BrOH+ 1 vxc OK > * hyb_gga_xc_mpwlyp1m BrOH 2 exc OK > * hyb_gga_xc_mpwlyp1m BrOH 2 vxc OK > * hyb_gga_xc_mpwlyp1m BrOH 1 exc OK > * hyb_gga_xc_mpwlyp1m BrOH 1 vxc OK > * hyb_gga_xc_mpwlyp1m H 1 exc OK > * hyb_gga_xc_mpwlyp1m H 1 vxc OK > * hyb_gga_xc_mpwlyp1m Li 2 exc OK > * hyb_gga_xc_mpwlyp1m Li 2 vxc OK > * hyb_gga_xc_mpwlyp1m Li 1 exc OK > * hyb_gga_xc_mpwlyp1m Li 1 vxc OK > * hyb_gga_xc_o3lyp BrOH+ 2 exc OK > * hyb_gga_xc_o3lyp BrOH+ 2 vxc OK > * hyb_gga_xc_o3lyp BrOH+ 1 exc OK > * hyb_gga_xc_o3lyp BrOH+ 1 vxc OK > * hyb_gga_xc_o3lyp BrOH 2 exc OK > * hyb_gga_xc_o3lyp BrOH 2 vxc OK > * hyb_gga_xc_o3lyp BrOH 1 exc OK > * hyb_gga_xc_o3lyp BrOH 1 vxc OK > * hyb_gga_xc_o3lyp H 1 exc OK > * hyb_gga_xc_o3lyp H 1 vxc OK > * hyb_gga_xc_o3lyp Li 2 exc OK > * hyb_gga_xc_o3lyp Li 2 vxc OK > * hyb_gga_xc_o3lyp Li 1 exc OK > * hyb_gga_xc_o3lyp Li 1 vxc OK > * hyb_gga_xc_pbe0_13 BrOH+ 2 exc OK > * hyb_gga_xc_pbe0_13 BrOH+ 2 vxc OK > * hyb_gga_xc_pbe0_13 BrOH+ 1 exc OK > * hyb_gga_xc_pbe0_13 BrOH+ 1 vxc OK > * hyb_gga_xc_pbe0_13 BrOH 2 exc OK > * hyb_gga_xc_pbe0_13 BrOH 2 vxc OK > * hyb_gga_xc_pbe0_13 BrOH 1 exc OK > * hyb_gga_xc_pbe0_13 BrOH 1 vxc OK > * hyb_gga_xc_pbe0_13 H 2 exc OK > * hyb_gga_xc_pbe0_13 H 2 vxc OK > * hyb_gga_xc_pbe0_13 H 1 exc OK > * hyb_gga_xc_pbe0_13 H 1 vxc OK > * hyb_gga_xc_pbe0_13 Li 2 exc OK > * hyb_gga_xc_pbe0_13 Li 2 vxc OK > * hyb_gga_xc_pbe0_13 Li 1 exc OK > * hyb_gga_xc_pbe0_13 Li 1 vxc OK > * hyb_gga_xc_pbe38 BrOH+ 2 exc OK > * hyb_gga_xc_pbe38 BrOH+ 2 vxc OK > * hyb_gga_xc_pbe38 BrOH+ 1 exc OK > * hyb_gga_xc_pbe38 BrOH+ 1 vxc OK > * hyb_gga_xc_pbe38 BrOH 2 exc OK > * hyb_gga_xc_pbe38 BrOH 2 vxc OK > * hyb_gga_xc_pbe38 BrOH 1 exc OK > * hyb_gga_xc_pbe38 BrOH 1 vxc OK > * hyb_gga_xc_pbe38 H 2 exc OK > * hyb_gga_xc_pbe38 H 2 vxc OK > * hyb_gga_xc_pbe38 H 1 exc OK > * hyb_gga_xc_pbe38 H 1 vxc OK > * hyb_gga_xc_pbe38 Li 2 exc OK > * hyb_gga_xc_pbe38 Li 2 vxc OK > * hyb_gga_xc_pbe38 Li 1 exc OK > * hyb_gga_xc_pbe38 Li 1 vxc OK > * hyb_gga_xc_pbe50 BrOH+ 2 exc OK > * hyb_gga_xc_pbe50 BrOH+ 2 vxc OK > * hyb_gga_xc_pbe50 BrOH+ 1 exc OK > * hyb_gga_xc_pbe50 BrOH+ 1 vxc OK > * hyb_gga_xc_pbe50 BrOH 2 exc OK > * hyb_gga_xc_pbe50 BrOH 2 vxc OK > * hyb_gga_xc_pbe50 BrOH 1 exc OK > * hyb_gga_xc_pbe50 BrOH 1 vxc OK > * hyb_gga_xc_pbe50 H 2 exc OK > * hyb_gga_xc_pbe50 H 2 vxc OK > * hyb_gga_xc_pbe50 H 1 exc OK > * hyb_gga_xc_pbe50 H 1 vxc OK > * hyb_gga_xc_pbe50 Li 2 exc OK > * hyb_gga_xc_pbe50 Li 2 vxc OK > * hyb_gga_xc_pbe50 Li 1 exc OK > * hyb_gga_xc_pbe50 Li 1 vxc OK > * hyb_gga_xc_pbe_2x BrOH+ 2 exc OK > * hyb_gga_xc_pbe_2x BrOH+ 2 vxc OK > * hyb_gga_xc_pbe_2x BrOH+ 1 exc OK > * hyb_gga_xc_pbe_2x BrOH+ 1 vxc OK > * hyb_gga_xc_pbe_2x BrOH 2 exc OK > * hyb_gga_xc_pbe_2x BrOH 2 vxc OK > * hyb_gga_xc_pbe_2x BrOH 1 exc OK > * hyb_gga_xc_pbe_2x BrOH 1 vxc OK > * hyb_gga_xc_pbe_2x H 2 exc OK > * hyb_gga_xc_pbe_2x H 2 vxc OK > * hyb_gga_xc_pbe_2x H 1 exc OK > * hyb_gga_xc_pbe_2x H 1 vxc OK > * hyb_gga_xc_pbe_2x Li 2 exc OK > * hyb_gga_xc_pbe_2x Li 2 vxc OK > * hyb_gga_xc_pbe_2x Li 1 exc OK > * hyb_gga_xc_pbe_2x Li 1 vxc OK > * hyb_gga_xc_pbe_mol0 BrOH+ 2 exc OK > * hyb_gga_xc_pbe_mol0 BrOH+ 2 vxc OK > * hyb_gga_xc_pbe_mol0 BrOH+ 1 exc OK > * hyb_gga_xc_pbe_mol0 BrOH+ 1 vxc OK > * hyb_gga_xc_pbe_mol0 BrOH 2 exc OK > * hyb_gga_xc_pbe_mol0 BrOH 2 vxc OK > * hyb_gga_xc_pbe_mol0 BrOH 1 exc OK > * hyb_gga_xc_pbe_mol0 BrOH 1 vxc OK > * hyb_gga_xc_pbe_mol0 H 2 exc OK > * hyb_gga_xc_pbe_mol0 H 2 vxc OK > * hyb_gga_xc_pbe_mol0 H 1 exc OK > * hyb_gga_xc_pbe_mol0 H 1 vxc OK > * hyb_gga_xc_pbe_mol0 Li 2 exc OK > * hyb_gga_xc_pbe_mol0 Li 2 vxc OK > * hyb_gga_xc_pbe_mol0 Li 1 exc OK > * hyb_gga_xc_pbe_mol0 Li 1 vxc OK > * hyb_gga_xc_pbe_molb0 BrOH+ 2 exc OK > * hyb_gga_xc_pbe_molb0 BrOH+ 2 vxc OK > * hyb_gga_xc_pbe_molb0 BrOH+ 1 exc OK > * hyb_gga_xc_pbe_molb0 BrOH+ 1 vxc OK > * hyb_gga_xc_pbe_molb0 BrOH 2 exc OK > * hyb_gga_xc_pbe_molb0 BrOH 2 vxc OK > * hyb_gga_xc_pbe_molb0 BrOH 1 exc OK > * hyb_gga_xc_pbe_molb0 BrOH 1 vxc OK > * hyb_gga_xc_pbe_molb0 H 2 exc OK > * hyb_gga_xc_pbe_molb0 H 2 vxc OK > * hyb_gga_xc_pbe_molb0 H 1 exc OK > * hyb_gga_xc_pbe_molb0 H 1 vxc OK > * hyb_gga_xc_pbe_molb0 Li 2 exc OK > * hyb_gga_xc_pbe_molb0 Li 2 vxc OK > * hyb_gga_xc_pbe_molb0 Li 1 exc OK > * hyb_gga_xc_pbe_molb0 Li 1 vxc OK > * hyb_gga_xc_pbe_sol0 BrOH+ 2 exc OK > * hyb_gga_xc_pbe_sol0 BrOH+ 2 vxc OK > * hyb_gga_xc_pbe_sol0 BrOH+ 1 exc OK > * hyb_gga_xc_pbe_sol0 BrOH+ 1 vxc OK > * hyb_gga_xc_pbe_sol0 BrOH 2 exc OK > * hyb_gga_xc_pbe_sol0 BrOH 2 vxc OK > * hyb_gga_xc_pbe_sol0 BrOH 1 exc OK > * hyb_gga_xc_pbe_sol0 BrOH 1 vxc OK > * hyb_gga_xc_pbe_sol0 H 2 exc OK > * hyb_gga_xc_pbe_sol0 H 2 vxc OK > * hyb_gga_xc_pbe_sol0 H 1 exc OK > * hyb_gga_xc_pbe_sol0 H 1 vxc OK > * hyb_gga_xc_pbe_sol0 Li 2 exc OK > * hyb_gga_xc_pbe_sol0 Li 2 vxc OK > * hyb_gga_xc_pbe_sol0 Li 1 exc OK > * hyb_gga_xc_pbe_sol0 Li 1 vxc OK > * hyb_gga_xc_pbeb0 BrOH+ 2 exc OK > * hyb_gga_xc_pbeb0 BrOH+ 2 vxc OK > * hyb_gga_xc_pbeb0 BrOH+ 1 exc OK > * hyb_gga_xc_pbeb0 BrOH+ 1 vxc OK > * hyb_gga_xc_pbeb0 BrOH 2 exc OK > * hyb_gga_xc_pbeb0 BrOH 2 vxc OK > * hyb_gga_xc_pbeb0 BrOH 1 exc OK > * hyb_gga_xc_pbeb0 BrOH 1 vxc OK > * hyb_gga_xc_pbeb0 H 2 exc OK > * hyb_gga_xc_pbeb0 H 2 vxc OK > * hyb_gga_xc_pbeb0 H 1 exc OK > * hyb_gga_xc_pbeb0 H 1 vxc OK > * hyb_gga_xc_pbeb0 Li 2 exc OK > * hyb_gga_xc_pbeb0 Li 2 vxc OK > * hyb_gga_xc_pbeb0 Li 1 exc OK > * hyb_gga_xc_pbeb0 Li 1 vxc OK > * hyb_gga_xc_pbeh BrOH+ 2 exc OK > * hyb_gga_xc_pbeh BrOH+ 2 vxc OK > * hyb_gga_xc_pbeh BrOH+ 1 exc OK > * hyb_gga_xc_pbeh BrOH+ 1 vxc OK > * hyb_gga_xc_pbeh BrOH 2 exc OK > * hyb_gga_xc_pbeh BrOH 2 vxc OK > * hyb_gga_xc_pbeh BrOH 1 exc OK > * hyb_gga_xc_pbeh BrOH 1 vxc OK > * hyb_gga_xc_pbeh H 2 exc OK > * hyb_gga_xc_pbeh H 2 vxc OK > * hyb_gga_xc_pbeh H 1 exc OK > * hyb_gga_xc_pbeh H 1 vxc OK > * hyb_gga_xc_pbeh Li 2 exc OK > * hyb_gga_xc_pbeh Li 2 vxc OK > * hyb_gga_xc_pbeh Li 1 exc OK > * hyb_gga_xc_pbeh Li 1 vxc OK > * hyb_gga_xc_qtp17 BrOH+ 2 exc OK > * hyb_gga_xc_qtp17 BrOH+ 2 vxc OK > * hyb_gga_xc_qtp17 BrOH+ 1 exc OK > * hyb_gga_xc_qtp17 BrOH+ 1 vxc OK > * hyb_gga_xc_qtp17 BrOH 2 exc OK > * hyb_gga_xc_qtp17 BrOH 2 vxc OK > * hyb_gga_xc_qtp17 BrOH 1 exc OK > * hyb_gga_xc_qtp17 BrOH 1 vxc OK > * hyb_gga_xc_qtp17 H 1 exc OK > * hyb_gga_xc_qtp17 H 1 vxc OK > * hyb_gga_xc_qtp17 Li 2 exc OK > * hyb_gga_xc_qtp17 Li 2 vxc OK > * hyb_gga_xc_qtp17 Li 1 exc OK > * hyb_gga_xc_qtp17 Li 1 vxc OK > * hyb_gga_xc_rcam_b3lyp BrOH+ 2 exc OK > * hyb_gga_xc_rcam_b3lyp BrOH+ 2 vxc OK > * hyb_gga_xc_rcam_b3lyp BrOH+ 1 exc OK > * hyb_gga_xc_rcam_b3lyp BrOH+ 1 vxc OK > * hyb_gga_xc_rcam_b3lyp BrOH 2 exc OK > * hyb_gga_xc_rcam_b3lyp BrOH 2 vxc OK > * hyb_gga_xc_rcam_b3lyp BrOH 1 exc OK > * hyb_gga_xc_rcam_b3lyp BrOH 1 vxc OK > * hyb_gga_xc_rcam_b3lyp H 1 exc OK > * hyb_gga_xc_rcam_b3lyp H 1 vxc OK > * hyb_gga_xc_rcam_b3lyp Li 2 exc OK > * hyb_gga_xc_rcam_b3lyp Li 1 exc OK > * hyb_gga_xc_rcam_b3lyp Li 1 vxc OK > * hyb_gga_xc_revb3lyp BrOH+ 2 exc OK > * hyb_gga_xc_revb3lyp BrOH+ 2 vxc OK > * hyb_gga_xc_revb3lyp BrOH+ 1 exc OK > * hyb_gga_xc_revb3lyp BrOH+ 1 vxc OK > * hyb_gga_xc_revb3lyp BrOH 2 exc OK > * hyb_gga_xc_revb3lyp BrOH 2 vxc OK > * hyb_gga_xc_revb3lyp BrOH 1 exc OK > * hyb_gga_xc_revb3lyp BrOH 1 vxc OK > * hyb_gga_xc_revb3lyp H 1 exc OK > * hyb_gga_xc_revb3lyp H 1 vxc OK > * hyb_gga_xc_revb3lyp Li 2 exc OK > * hyb_gga_xc_revb3lyp Li 2 vxc OK > * hyb_gga_xc_revb3lyp Li 1 exc OK > * hyb_gga_xc_revb3lyp Li 1 vxc OK > * hyb_gga_xc_sb98_1a BrOH+ 2 exc OK > * hyb_gga_xc_sb98_1a BrOH+ 2 vxc OK > * hyb_gga_xc_sb98_1a BrOH+ 1 exc OK > * hyb_gga_xc_sb98_1a BrOH+ 1 vxc OK > * hyb_gga_xc_sb98_1a BrOH 2 exc OK > * hyb_gga_xc_sb98_1a BrOH 2 vxc OK > * hyb_gga_xc_sb98_1a BrOH 1 exc OK > * hyb_gga_xc_sb98_1a BrOH 1 vxc OK > * hyb_gga_xc_sb98_1a H 2 exc OK > * hyb_gga_xc_sb98_1a H 1 exc OK > * hyb_gga_xc_sb98_1a H 1 vxc OK > * hyb_gga_xc_sb98_1a Li 2 exc OK > * hyb_gga_xc_sb98_1a Li 2 vxc OK > * hyb_gga_xc_sb98_1a Li 1 exc OK > * hyb_gga_xc_sb98_1a Li 1 vxc OK > * hyb_gga_xc_sb98_1b BrOH+ 2 exc OK > * hyb_gga_xc_sb98_1b BrOH+ 2 vxc OK > * hyb_gga_xc_sb98_1b BrOH+ 1 exc OK > * hyb_gga_xc_sb98_1b BrOH+ 1 vxc OK > * hyb_gga_xc_sb98_1b BrOH 2 exc OK > * hyb_gga_xc_sb98_1b BrOH 2 vxc OK > * hyb_gga_xc_sb98_1b BrOH 1 exc OK > * hyb_gga_xc_sb98_1b BrOH 1 vxc OK > * hyb_gga_xc_sb98_1b H 2 exc OK > * hyb_gga_xc_sb98_1b H 1 exc OK > * hyb_gga_xc_sb98_1b H 1 vxc OK > * hyb_gga_xc_sb98_1b Li 2 exc OK > * hyb_gga_xc_sb98_1b Li 2 vxc OK > * hyb_gga_xc_sb98_1b Li 1 exc OK > * hyb_gga_xc_sb98_1b Li 1 vxc OK > * hyb_gga_xc_sb98_1c BrOH+ 2 exc OK > * hyb_gga_xc_sb98_1c BrOH+ 2 vxc OK > * hyb_gga_xc_sb98_1c BrOH+ 1 exc OK > * hyb_gga_xc_sb98_1c BrOH+ 1 vxc OK > * hyb_gga_xc_sb98_1c BrOH 2 exc OK > * hyb_gga_xc_sb98_1c BrOH 2 vxc OK > * hyb_gga_xc_sb98_1c BrOH 1 exc OK > * hyb_gga_xc_sb98_1c BrOH 1 vxc OK > * hyb_gga_xc_sb98_1c H 2 exc OK > * hyb_gga_xc_sb98_1c H 1 exc OK > * hyb_gga_xc_sb98_1c H 1 vxc OK > * hyb_gga_xc_sb98_1c Li 2 exc OK > * hyb_gga_xc_sb98_1c Li 2 vxc OK > * hyb_gga_xc_sb98_1c Li 1 exc OK > * hyb_gga_xc_sb98_1c Li 1 vxc OK > * hyb_gga_xc_sb98_2a BrOH+ 2 exc OK > * hyb_gga_xc_sb98_2a BrOH+ 2 vxc OK > * hyb_gga_xc_sb98_2a BrOH+ 1 exc OK > * hyb_gga_xc_sb98_2a BrOH+ 1 vxc OK > * hyb_gga_xc_sb98_2a BrOH 2 exc OK > * hyb_gga_xc_sb98_2a BrOH 2 vxc OK > * hyb_gga_xc_sb98_2a BrOH 1 exc OK > * hyb_gga_xc_sb98_2a BrOH 1 vxc OK > * hyb_gga_xc_sb98_2a H 2 exc OK > * hyb_gga_xc_sb98_2a H 1 exc OK > * hyb_gga_xc_sb98_2a H 1 vxc OK > * hyb_gga_xc_sb98_2a Li 2 exc OK > * hyb_gga_xc_sb98_2a Li 2 vxc OK > * hyb_gga_xc_sb98_2a Li 1 exc OK > * hyb_gga_xc_sb98_2a Li 1 vxc OK > * hyb_gga_xc_sb98_2b BrOH+ 2 exc OK > * hyb_gga_xc_sb98_2b BrOH+ 2 vxc OK > * hyb_gga_xc_sb98_2b BrOH+ 1 exc OK > * hyb_gga_xc_sb98_2b BrOH+ 1 vxc OK > * hyb_gga_xc_sb98_2b BrOH 2 exc OK > * hyb_gga_xc_sb98_2b BrOH 2 vxc OK > * hyb_gga_xc_sb98_2b BrOH 1 exc OK > * hyb_gga_xc_sb98_2b BrOH 1 vxc OK > * hyb_gga_xc_sb98_2b H 2 exc OK > * hyb_gga_xc_sb98_2b H 1 exc OK > * hyb_gga_xc_sb98_2b H 1 vxc OK > * hyb_gga_xc_sb98_2b Li 2 exc OK > * hyb_gga_xc_sb98_2b Li 2 vxc OK > * hyb_gga_xc_sb98_2b Li 1 exc OK > * hyb_gga_xc_sb98_2b Li 1 vxc OK > * hyb_gga_xc_sb98_2c BrOH+ 2 exc OK > * hyb_gga_xc_sb98_2c BrOH+ 2 vxc OK > * hyb_gga_xc_sb98_2c BrOH+ 1 exc OK > * hyb_gga_xc_sb98_2c BrOH+ 1 vxc OK > * hyb_gga_xc_sb98_2c BrOH 2 exc OK > * hyb_gga_xc_sb98_2c BrOH 2 vxc OK > * hyb_gga_xc_sb98_2c BrOH 1 exc OK > * hyb_gga_xc_sb98_2c BrOH 1 vxc OK > * hyb_gga_xc_sb98_2c H 2 exc OK > * hyb_gga_xc_sb98_2c H 1 exc OK > * hyb_gga_xc_sb98_2c H 1 vxc OK > * hyb_gga_xc_sb98_2c Li 2 exc OK > * hyb_gga_xc_sb98_2c Li 2 vxc OK > * hyb_gga_xc_sb98_2c Li 1 exc OK > * hyb_gga_xc_sb98_2c Li 1 vxc OK > * hyb_gga_xc_tuned_cam_b3lyp BrOH+ 2 exc OK > * hyb_gga_xc_tuned_cam_b3lyp BrOH+ 2 vxc OK > * hyb_gga_xc_tuned_cam_b3lyp BrOH+ 1 exc OK > * hyb_gga_xc_tuned_cam_b3lyp BrOH+ 1 vxc OK > * hyb_gga_xc_tuned_cam_b3lyp BrOH 2 exc OK > * hyb_gga_xc_tuned_cam_b3lyp BrOH 2 vxc OK > * hyb_gga_xc_tuned_cam_b3lyp BrOH 1 exc OK > * hyb_gga_xc_tuned_cam_b3lyp BrOH 1 vxc OK > * hyb_gga_xc_tuned_cam_b3lyp H 1 exc OK > * hyb_gga_xc_tuned_cam_b3lyp H 1 vxc OK > * hyb_gga_xc_tuned_cam_b3lyp Li 2 exc OK > * hyb_gga_xc_tuned_cam_b3lyp Li 1 exc OK > * hyb_gga_xc_tuned_cam_b3lyp Li 1 vxc OK > * hyb_gga_xc_wb97 BrOH+ 2 exc OK > * hyb_gga_xc_wb97 BrOH+ 2 vxc OK > * hyb_gga_xc_wb97 BrOH+ 1 exc OK > * hyb_gga_xc_wb97 BrOH+ 1 vxc OK > * hyb_gga_xc_wb97 BrOH 2 exc OK > * hyb_gga_xc_wb97 BrOH 2 vxc OK > * hyb_gga_xc_wb97 BrOH 1 exc OK > * hyb_gga_xc_wb97 BrOH 1 vxc OK > * hyb_gga_xc_wb97 H 2 exc OK > * hyb_gga_xc_wb97 H 1 exc OK > * hyb_gga_xc_wb97 H 1 vxc OK > * hyb_gga_xc_wb97 Li 2 exc OK > * hyb_gga_xc_wb97 Li 1 exc OK > * hyb_gga_xc_wb97x BrOH+ 2 exc OK > * hyb_gga_xc_wb97x BrOH+ 2 vxc OK > * hyb_gga_xc_wb97x BrOH+ 1 exc OK > * hyb_gga_xc_wb97x BrOH+ 1 vxc OK > * hyb_gga_xc_wb97x BrOH 2 exc OK > * hyb_gga_xc_wb97x BrOH 2 vxc OK > * hyb_gga_xc_wb97x BrOH 1 exc OK > * hyb_gga_xc_wb97x BrOH 1 vxc OK > * hyb_gga_xc_wb97x H 2 exc OK > * hyb_gga_xc_wb97x H 1 exc OK > * hyb_gga_xc_wb97x H 1 vxc OK > * hyb_gga_xc_wb97x Li 2 exc OK > * hyb_gga_xc_wb97x Li 2 vxc OK > * hyb_gga_xc_wb97x Li 1 exc OK > * hyb_gga_xc_wb97x Li 1 vxc OK > * hyb_gga_xc_wb97x_d BrOH+ 2 exc OK > * hyb_gga_xc_wb97x_d BrOH+ 2 vxc OK > * hyb_gga_xc_wb97x_d BrOH+ 1 exc OK > * hyb_gga_xc_wb97x_d BrOH+ 1 vxc OK > * hyb_gga_xc_wb97x_d BrOH 2 exc OK > * hyb_gga_xc_wb97x_d BrOH 2 vxc OK > * hyb_gga_xc_wb97x_d BrOH 1 exc OK > * hyb_gga_xc_wb97x_d BrOH 1 vxc OK > * hyb_gga_xc_wb97x_d H 2 exc OK > * hyb_gga_xc_wb97x_d H 1 exc OK > * hyb_gga_xc_wb97x_d H 1 vxc OK > * hyb_gga_xc_wb97x_d Li 2 exc OK > * hyb_gga_xc_wb97x_d Li 2 vxc OK > * hyb_gga_xc_wb97x_d Li 1 exc OK > * hyb_gga_xc_wb97x_d Li 1 vxc OK > * hyb_gga_xc_wb97x_d3 BrOH+ 2 exc OK > * hyb_gga_xc_wb97x_d3 BrOH+ 2 vxc OK > * hyb_gga_xc_wb97x_d3 BrOH+ 1 exc OK > * hyb_gga_xc_wb97x_d3 BrOH+ 1 vxc OK > * hyb_gga_xc_wb97x_d3 BrOH 2 exc OK > * hyb_gga_xc_wb97x_d3 BrOH 2 vxc OK > * hyb_gga_xc_wb97x_d3 BrOH 1 exc OK > * hyb_gga_xc_wb97x_d3 BrOH 1 vxc OK > * hyb_gga_xc_wb97x_d3 H 2 exc OK > * hyb_gga_xc_wb97x_d3 H 1 exc OK > * hyb_gga_xc_wb97x_d3 H 1 vxc OK > * hyb_gga_xc_wb97x_d3 Li 2 exc OK > * hyb_gga_xc_wb97x_d3 Li 2 vxc OK > * hyb_gga_xc_wb97x_d3 Li 1 exc OK > * hyb_gga_xc_wb97x_d3 Li 1 vxc OK > * hyb_gga_xc_wb97x_v BrOH+ 2 exc OK > * hyb_gga_xc_wb97x_v BrOH+ 2 vxc OK > * hyb_gga_xc_wb97x_v BrOH+ 1 exc OK > * hyb_gga_xc_wb97x_v BrOH+ 1 vxc OK > * hyb_gga_xc_wb97x_v BrOH 2 exc OK > * hyb_gga_xc_wb97x_v BrOH 2 vxc OK > * hyb_gga_xc_wb97x_v BrOH 1 exc OK > * hyb_gga_xc_wb97x_v BrOH 1 vxc OK > * hyb_gga_xc_wb97x_v H 2 exc OK > * hyb_gga_xc_wb97x_v H 1 exc OK > * hyb_gga_xc_wb97x_v H 1 vxc OK > * hyb_gga_xc_wb97x_v Li 2 exc OK > * hyb_gga_xc_wb97x_v Li 2 vxc OK > * hyb_gga_xc_wb97x_v Li 1 exc OK > * hyb_gga_xc_wb97x_v Li 1 vxc OK > * hyb_gga_xc_wc04 BrOH+ 2 exc OK > * hyb_gga_xc_wc04 BrOH+ 2 vxc OK > * hyb_gga_xc_wc04 BrOH+ 1 exc OK > * hyb_gga_xc_wc04 BrOH+ 1 vxc OK > * hyb_gga_xc_wc04 BrOH 2 exc OK > * hyb_gga_xc_wc04 BrOH 2 vxc OK > * hyb_gga_xc_wc04 BrOH 1 exc OK > * hyb_gga_xc_wc04 BrOH 1 vxc OK > * hyb_gga_xc_wc04 H 1 exc OK > * hyb_gga_xc_wc04 H 1 vxc OK > * hyb_gga_xc_wc04 Li 2 exc OK > * hyb_gga_xc_wc04 Li 2 vxc OK > * hyb_gga_xc_wc04 Li 1 exc OK > * hyb_gga_xc_wc04 Li 1 vxc OK > * hyb_gga_xc_whpbe0 BrOH+ 2 exc OK > * hyb_gga_xc_whpbe0 BrOH+ 2 vxc OK > * hyb_gga_xc_whpbe0 BrOH+ 1 exc OK > * hyb_gga_xc_whpbe0 BrOH+ 1 vxc OK > * hyb_gga_xc_whpbe0 BrOH 2 exc OK > * hyb_gga_xc_whpbe0 BrOH 2 vxc OK > * hyb_gga_xc_whpbe0 BrOH 1 exc OK > * hyb_gga_xc_whpbe0 BrOH 1 vxc OK > * hyb_gga_xc_whpbe0 H 2 exc OK > * hyb_gga_xc_whpbe0 H 2 vxc OK > * hyb_gga_xc_whpbe0 H 1 exc OK > * hyb_gga_xc_whpbe0 H 1 vxc OK > * hyb_gga_xc_whpbe0 Li 2 exc OK > * hyb_gga_xc_whpbe0 Li 2 vxc OK > * hyb_gga_xc_whpbe0 Li 1 exc OK > * hyb_gga_xc_whpbe0 Li 1 vxc OK > * hyb_gga_xc_wp04 BrOH+ 2 exc OK > * hyb_gga_xc_wp04 BrOH+ 2 vxc OK > * hyb_gga_xc_wp04 BrOH+ 1 exc OK > * hyb_gga_xc_wp04 BrOH+ 1 vxc OK > * hyb_gga_xc_wp04 BrOH 2 exc OK > * hyb_gga_xc_wp04 BrOH 2 vxc OK > * hyb_gga_xc_wp04 BrOH 1 exc OK > * hyb_gga_xc_wp04 BrOH 1 vxc OK > * hyb_gga_xc_wp04 H 1 exc OK > * hyb_gga_xc_wp04 H 1 vxc OK > * hyb_gga_xc_wp04 Li 2 exc OK > * hyb_gga_xc_wp04 Li 2 vxc OK > * hyb_gga_xc_wp04 Li 1 exc OK > * hyb_gga_xc_wp04 Li 1 vxc OK > * hyb_gga_xc_x3lyp BrOH+ 2 exc OK > * hyb_gga_xc_x3lyp BrOH+ 2 vxc OK > * hyb_gga_xc_x3lyp BrOH+ 1 exc OK > * hyb_gga_xc_x3lyp BrOH+ 1 vxc OK > * hyb_gga_xc_x3lyp BrOH 2 exc OK > * hyb_gga_xc_x3lyp BrOH 2 vxc OK > * hyb_gga_xc_x3lyp BrOH 1 exc OK > * hyb_gga_xc_x3lyp BrOH 1 vxc OK > * hyb_gga_xc_x3lyp H 1 exc OK > * hyb_gga_xc_x3lyp H 1 vxc OK > * hyb_gga_xc_x3lyp Li 2 exc OK > * hyb_gga_xc_x3lyp Li 2 vxc OK > * hyb_gga_xc_x3lyp Li 1 exc OK > * hyb_gga_xc_x3lyp Li 1 vxc OK > * hyb_lda_xc_bn05 BrOH+ 2 exc OK > * hyb_lda_xc_bn05 BrOH+ 2 vxc OK > * hyb_lda_xc_bn05 BrOH+ 1 exc OK > * hyb_lda_xc_bn05 BrOH+ 1 vxc OK > * hyb_lda_xc_bn05 BrOH 2 exc OK > * hyb_lda_xc_bn05 BrOH 2 vxc OK > * hyb_lda_xc_bn05 BrOH 1 exc OK > * hyb_lda_xc_bn05 BrOH 1 vxc OK > * hyb_lda_xc_bn05 H 2 exc OK > * hyb_lda_xc_bn05 H 2 vxc OK > * hyb_lda_xc_bn05 H 1 exc OK > * hyb_lda_xc_bn05 H 1 vxc OK > * hyb_lda_xc_bn05 Li 2 exc OK > * hyb_lda_xc_bn05 Li 2 vxc OK > * hyb_lda_xc_bn05 Li 1 exc OK > * hyb_lda_xc_bn05 Li 1 vxc OK > * hyb_lda_xc_cam_lda0 BrOH+ 2 exc OK > * hyb_lda_xc_cam_lda0 BrOH+ 2 vxc OK > * hyb_lda_xc_cam_lda0 BrOH+ 1 exc OK > * hyb_lda_xc_cam_lda0 BrOH+ 1 vxc OK > * hyb_lda_xc_cam_lda0 BrOH 2 exc OK > * hyb_lda_xc_cam_lda0 BrOH 2 vxc OK > * hyb_lda_xc_cam_lda0 BrOH 1 exc OK > * hyb_lda_xc_cam_lda0 BrOH 1 vxc OK > * hyb_lda_xc_cam_lda0 H 2 exc OK > * hyb_lda_xc_cam_lda0 H 2 vxc OK > * hyb_lda_xc_cam_lda0 H 1 exc OK > * hyb_lda_xc_cam_lda0 H 1 vxc OK > * hyb_lda_xc_cam_lda0 Li 2 exc OK > * hyb_lda_xc_cam_lda0 Li 2 vxc OK > * hyb_lda_xc_cam_lda0 Li 1 exc OK > * hyb_lda_xc_cam_lda0 Li 1 vxc OK > * hyb_lda_xc_lda0 BrOH+ 2 exc OK > * hyb_lda_xc_lda0 BrOH+ 2 vxc OK > * hyb_lda_xc_lda0 BrOH+ 1 exc OK > * hyb_lda_xc_lda0 BrOH+ 1 vxc OK > * hyb_lda_xc_lda0 BrOH 2 exc OK > * hyb_lda_xc_lda0 BrOH 2 vxc OK > * hyb_lda_xc_lda0 BrOH 1 exc OK > * hyb_lda_xc_lda0 BrOH 1 vxc OK > * hyb_lda_xc_lda0 H 2 exc OK > * hyb_lda_xc_lda0 H 2 vxc OK > * hyb_lda_xc_lda0 H 1 exc OK > * hyb_lda_xc_lda0 H 1 vxc OK > * hyb_lda_xc_lda0 Li 2 exc OK > * hyb_lda_xc_lda0 Li 2 vxc OK > * hyb_lda_xc_lda0 Li 1 exc OK > * hyb_lda_xc_lda0 Li 1 vxc OK > * hyb_mgga_x_bmk BrOH+ 2 exc OK > * hyb_mgga_x_bmk BrOH+ 2 vxc OK > * hyb_mgga_x_bmk BrOH+ 1 exc OK > * hyb_mgga_x_bmk BrOH+ 1 vxc OK > * hyb_mgga_x_bmk BrOH 2 exc OK > * hyb_mgga_x_bmk BrOH 2 vxc OK > * hyb_mgga_x_bmk BrOH 1 exc OK > * hyb_mgga_x_bmk BrOH 1 vxc OK > * hyb_mgga_x_bmk H 2 exc OK > * hyb_mgga_x_bmk H 2 vxc OK > * hyb_mgga_x_bmk H 1 exc OK > * hyb_mgga_x_bmk H 1 vxc OK > * hyb_mgga_x_bmk Li 2 exc OK > * hyb_mgga_x_bmk Li 2 vxc OK > * hyb_mgga_x_bmk Li 1 exc OK > * hyb_mgga_x_bmk Li 1 vxc OK > * hyb_mgga_x_dldf BrOH+ 2 exc OK > * hyb_mgga_x_dldf BrOH+ 2 vxc OK > * hyb_mgga_x_dldf BrOH+ 1 exc OK > * hyb_mgga_x_dldf BrOH+ 1 vxc OK > * hyb_mgga_x_dldf BrOH 2 exc OK > * hyb_mgga_x_dldf BrOH 2 vxc OK > * hyb_mgga_x_dldf BrOH 1 exc OK > * hyb_mgga_x_dldf BrOH 1 vxc OK > * hyb_mgga_x_dldf H 2 exc OK > * hyb_mgga_x_dldf H 2 vxc OK > * hyb_mgga_x_dldf H 1 exc OK > * hyb_mgga_x_dldf H 1 vxc OK > * hyb_mgga_x_dldf Li 2 exc OK > * hyb_mgga_x_dldf Li 2 vxc OK > * hyb_mgga_x_dldf Li 1 exc OK > * hyb_mgga_x_dldf Li 1 vxc OK > * hyb_mgga_x_js18 BrOH+ 2 exc OK > * hyb_mgga_x_js18 BrOH+ 2 vxc OK > * hyb_mgga_x_js18 BrOH+ 1 exc OK > * hyb_mgga_x_js18 BrOH+ 1 vxc OK > * hyb_mgga_x_js18 BrOH 2 exc OK > * hyb_mgga_x_js18 BrOH 2 vxc OK > * hyb_mgga_x_js18 BrOH 1 exc OK > * hyb_mgga_x_js18 BrOH 1 vxc OK > * hyb_mgga_x_js18 H 2 exc OK > * hyb_mgga_x_js18 H 2 vxc OK > * hyb_mgga_x_js18 H 1 exc OK > * hyb_mgga_x_js18 H 1 vxc OK > * hyb_mgga_x_js18 Li 2 exc OK > * hyb_mgga_x_js18 Li 2 vxc OK > * hyb_mgga_x_js18 Li 1 exc OK > * hyb_mgga_x_js18 Li 1 vxc OK > * hyb_mgga_x_m05 BrOH+ 2 exc OK > * hyb_mgga_x_m05 BrOH+ 2 vxc OK > * hyb_mgga_x_m05 BrOH+ 1 exc OK > * hyb_mgga_x_m05 BrOH+ 1 vxc OK > * hyb_mgga_x_m05 BrOH 2 exc OK > * hyb_mgga_x_m05 BrOH 2 vxc OK > * hyb_mgga_x_m05 BrOH 1 exc OK > * hyb_mgga_x_m05 BrOH 1 vxc OK > * hyb_mgga_x_m05 H 2 exc OK > * hyb_mgga_x_m05 H 2 vxc OK > * hyb_mgga_x_m05 H 1 exc OK > * hyb_mgga_x_m05 H 1 vxc OK > * hyb_mgga_x_m05 Li 2 exc OK > * hyb_mgga_x_m05 Li 2 vxc OK > * hyb_mgga_x_m05 Li 1 exc OK > * hyb_mgga_x_m05 Li 1 vxc OK > * hyb_mgga_x_m05_2x BrOH+ 2 exc OK > * hyb_mgga_x_m05_2x BrOH+ 2 vxc OK > * hyb_mgga_x_m05_2x BrOH+ 1 exc OK > * hyb_mgga_x_m05_2x BrOH+ 1 vxc OK > * hyb_mgga_x_m05_2x BrOH 2 exc OK > * hyb_mgga_x_m05_2x BrOH 2 vxc OK > * hyb_mgga_x_m05_2x BrOH 1 exc OK > * hyb_mgga_x_m05_2x BrOH 1 vxc OK > * hyb_mgga_x_m05_2x H 2 exc OK > * hyb_mgga_x_m05_2x H 2 vxc OK > * hyb_mgga_x_m05_2x H 1 exc OK > * hyb_mgga_x_m05_2x H 1 vxc OK > * hyb_mgga_x_m05_2x Li 2 exc OK > * hyb_mgga_x_m05_2x Li 2 vxc OK > * hyb_mgga_x_m05_2x Li 1 exc OK > * hyb_mgga_x_m05_2x Li 1 vxc OK > * hyb_mgga_x_m06 BrOH+ 2 exc OK > * hyb_mgga_x_m06 BrOH+ 2 vxc OK > * hyb_mgga_x_m06 BrOH+ 1 exc OK > * hyb_mgga_x_m06 BrOH+ 1 vxc OK > * hyb_mgga_x_m06 BrOH 2 exc OK > * hyb_mgga_x_m06 BrOH 2 vxc OK > * hyb_mgga_x_m06 BrOH 1 exc OK > * hyb_mgga_x_m06 BrOH 1 vxc OK > * hyb_mgga_x_m06 H 2 exc OK > * hyb_mgga_x_m06 H 2 vxc OK > * hyb_mgga_x_m06 H 1 exc OK > * hyb_mgga_x_m06 H 1 vxc OK > * hyb_mgga_x_m06 Li 2 exc OK > * hyb_mgga_x_m06 Li 2 vxc OK > * hyb_mgga_x_m06 Li 1 exc OK > * hyb_mgga_x_m06 Li 1 vxc OK > * hyb_mgga_x_m06_2x BrOH+ 2 exc OK > * hyb_mgga_x_m06_2x BrOH+ 2 vxc OK > * hyb_mgga_x_m06_2x BrOH+ 1 exc OK > * hyb_mgga_x_m06_2x BrOH+ 1 vxc OK > * hyb_mgga_x_m06_2x BrOH 2 exc OK > * hyb_mgga_x_m06_2x BrOH 2 vxc OK > * hyb_mgga_x_m06_2x BrOH 1 exc OK > * hyb_mgga_x_m06_2x BrOH 1 vxc OK > * hyb_mgga_x_m06_2x H 2 exc OK > * hyb_mgga_x_m06_2x H 2 vxc OK > * hyb_mgga_x_m06_2x H 1 exc OK > * hyb_mgga_x_m06_2x H 1 vxc OK > * hyb_mgga_x_m06_2x Li 2 exc OK > * hyb_mgga_x_m06_2x Li 2 vxc OK > * hyb_mgga_x_m06_2x Li 1 exc OK > * hyb_mgga_x_m06_2x Li 1 vxc OK > * hyb_mgga_x_m06_hf BrOH+ 2 exc OK > * hyb_mgga_x_m06_hf BrOH+ 2 vxc OK > * hyb_mgga_x_m06_hf BrOH+ 1 exc OK > * hyb_mgga_x_m06_hf BrOH+ 1 vxc OK > * hyb_mgga_x_m06_hf BrOH 2 exc OK > * hyb_mgga_x_m06_hf BrOH 2 vxc OK > * hyb_mgga_x_m06_hf BrOH 1 exc OK > * hyb_mgga_x_m06_hf BrOH 1 vxc OK > * hyb_mgga_x_m06_hf H 2 exc OK > * hyb_mgga_x_m06_hf H 2 vxc OK > * hyb_mgga_x_m06_hf H 1 exc OK > * hyb_mgga_x_m06_hf H 1 vxc OK > * hyb_mgga_x_m06_hf Li 2 exc OK > * hyb_mgga_x_m06_hf Li 2 vxc OK > * hyb_mgga_x_m06_hf Li 1 exc OK > * hyb_mgga_x_m06_hf Li 1 vxc OK > * hyb_mgga_x_m06_sx BrOH+ 2 exc OK > * hyb_mgga_x_m06_sx BrOH+ 2 vxc OK > * hyb_mgga_x_m06_sx BrOH+ 1 exc OK > * hyb_mgga_x_m06_sx BrOH+ 1 vxc OK > * hyb_mgga_x_m06_sx BrOH 2 exc OK > * hyb_mgga_x_m06_sx BrOH 2 vxc OK > * hyb_mgga_x_m06_sx BrOH 1 exc OK > * hyb_mgga_x_m06_sx BrOH 1 vxc OK > * hyb_mgga_x_m06_sx H 2 exc OK > * hyb_mgga_x_m06_sx H 2 vxc OK > * hyb_mgga_x_m06_sx H 1 exc OK > * hyb_mgga_x_m06_sx H 1 vxc OK > * hyb_mgga_x_m06_sx Li 2 exc OK > * hyb_mgga_x_m06_sx Li 2 vxc OK > * hyb_mgga_x_m06_sx Li 1 exc OK > * hyb_mgga_x_m06_sx Li 1 vxc OK > * hyb_mgga_x_m08_hx BrOH+ 2 exc OK > * hyb_mgga_x_m08_hx BrOH+ 2 vxc OK > * hyb_mgga_x_m08_hx BrOH+ 1 exc OK > * hyb_mgga_x_m08_hx BrOH+ 1 vxc OK > * hyb_mgga_x_m08_hx BrOH 2 exc OK > * hyb_mgga_x_m08_hx BrOH 2 vxc OK > * hyb_mgga_x_m08_hx BrOH 1 exc OK > * hyb_mgga_x_m08_hx BrOH 1 vxc OK > * hyb_mgga_x_m08_hx H 2 exc OK > * hyb_mgga_x_m08_hx H 2 vxc OK > * hyb_mgga_x_m08_hx H 1 exc OK > * hyb_mgga_x_m08_hx H 1 vxc OK > * hyb_mgga_x_m08_hx Li 2 exc OK > * hyb_mgga_x_m08_hx Li 2 vxc OK > * hyb_mgga_x_m08_hx Li 1 exc OK > * hyb_mgga_x_m08_hx Li 1 vxc OK > * hyb_mgga_x_m08_so BrOH+ 2 exc OK > * hyb_mgga_x_m08_so BrOH+ 2 vxc OK > * hyb_mgga_x_m08_so BrOH+ 1 exc OK > * hyb_mgga_x_m08_so BrOH+ 1 vxc OK > * hyb_mgga_x_m08_so BrOH 2 exc OK > * hyb_mgga_x_m08_so BrOH 2 vxc OK > * hyb_mgga_x_m08_so BrOH 1 exc OK > * hyb_mgga_x_m08_so BrOH 1 vxc OK > * hyb_mgga_x_m08_so H 2 exc OK > * hyb_mgga_x_m08_so H 2 vxc OK > * hyb_mgga_x_m08_so H 1 exc OK > * hyb_mgga_x_m08_so H 1 vxc OK > * hyb_mgga_x_m08_so Li 2 exc OK > * hyb_mgga_x_m08_so Li 2 vxc OK > * hyb_mgga_x_m08_so Li 1 exc OK > * hyb_mgga_x_m08_so Li 1 vxc OK > * hyb_mgga_x_m11 BrOH+ 2 exc OK > * hyb_mgga_x_m11 BrOH+ 2 vxc OK > * hyb_mgga_x_m11 BrOH+ 1 exc OK > * hyb_mgga_x_m11 BrOH+ 1 vxc OK > * hyb_mgga_x_m11 BrOH 2 exc OK > * hyb_mgga_x_m11 BrOH 2 vxc OK > * hyb_mgga_x_m11 BrOH 1 exc OK > * hyb_mgga_x_m11 BrOH 1 vxc OK > * hyb_mgga_x_m11 H 2 exc OK > * hyb_mgga_x_m11 H 1 exc OK > * hyb_mgga_x_m11 H 1 vxc OK > * hyb_mgga_x_m11 Li 2 exc OK > * hyb_mgga_x_m11 Li 2 vxc OK > * hyb_mgga_x_m11 Li 1 exc OK > * hyb_mgga_x_m11 Li 1 vxc OK > * hyb_mgga_x_mn12_sx BrOH+ 2 exc OK > * hyb_mgga_x_mn12_sx BrOH+ 2 vxc OK > * hyb_mgga_x_mn12_sx BrOH+ 1 exc OK > * hyb_mgga_x_mn12_sx BrOH+ 1 vxc OK > * hyb_mgga_x_mn12_sx BrOH 2 exc OK > * hyb_mgga_x_mn12_sx BrOH 2 vxc OK > * hyb_mgga_x_mn12_sx BrOH 1 exc OK > * hyb_mgga_x_mn12_sx BrOH 1 vxc OK > * hyb_mgga_x_mn12_sx H 2 exc OK > * hyb_mgga_x_mn12_sx H 1 exc OK > * hyb_mgga_x_mn12_sx H 1 vxc OK > * hyb_mgga_x_mn12_sx Li 2 exc OK > * hyb_mgga_x_mn12_sx Li 2 vxc OK > * hyb_mgga_x_mn12_sx Li 1 exc OK > * hyb_mgga_x_mn12_sx Li 1 vxc OK > * hyb_mgga_x_mn15 BrOH+ 2 exc OK > * hyb_mgga_x_mn15 BrOH+ 2 vxc OK > * hyb_mgga_x_mn15 BrOH+ 1 exc OK > * hyb_mgga_x_mn15 BrOH+ 1 vxc OK > * hyb_mgga_x_mn15 BrOH 2 exc OK > * hyb_mgga_x_mn15 BrOH 2 vxc OK > * hyb_mgga_x_mn15 BrOH 1 exc OK > * hyb_mgga_x_mn15 BrOH 1 vxc OK > * hyb_mgga_x_mn15 H 2 exc OK > * hyb_mgga_x_mn15 H 1 exc OK > * hyb_mgga_x_mn15 H 1 vxc OK > * hyb_mgga_x_mn15 Li 2 exc OK > * hyb_mgga_x_mn15 Li 2 vxc OK > * hyb_mgga_x_mn15 Li 1 exc OK > * hyb_mgga_x_mn15 Li 1 vxc OK > * hyb_mgga_x_ms2h BrOH+ 2 exc OK > * hyb_mgga_x_ms2h BrOH+ 2 vxc OK > * hyb_mgga_x_ms2h BrOH+ 1 exc OK > * hyb_mgga_x_ms2h BrOH+ 1 vxc OK > * hyb_mgga_x_ms2h BrOH 2 exc OK > * hyb_mgga_x_ms2h BrOH 2 vxc OK > * hyb_mgga_x_ms2h BrOH 1 exc OK > * hyb_mgga_x_ms2h BrOH 1 vxc OK > * hyb_mgga_x_ms2h H 2 exc OK > * hyb_mgga_x_ms2h H 2 vxc OK > * hyb_mgga_x_ms2h H 1 exc OK > * hyb_mgga_x_ms2h H 1 vxc OK > * hyb_mgga_x_ms2h Li 2 exc OK > * hyb_mgga_x_ms2h Li 2 vxc >8 4 -1.4471178110e+00 -1.4472419929e+00 5.074364e-05 > FAIL > * hyb_mgga_x_ms2h Li 1 exc OK > * hyb_mgga_x_ms2h Li 1 vxc OK > * hyb_mgga_x_mvsh BrOH+ 2 exc OK > * hyb_mgga_x_mvsh BrOH+ 2 vxc OK > * hyb_mgga_x_mvsh BrOH+ 1 exc OK > * hyb_mgga_x_mvsh BrOH+ 1 vxc OK > * hyb_mgga_x_mvsh BrOH 2 exc OK > * hyb_mgga_x_mvsh BrOH 2 vxc OK > * hyb_mgga_x_mvsh BrOH 1 exc OK > * hyb_mgga_x_mvsh BrOH 1 vxc OK > * hyb_mgga_x_mvsh H 2 exc OK > * hyb_mgga_x_mvsh H 2 vxc OK > * hyb_mgga_x_mvsh H 1 exc OK > * hyb_mgga_x_mvsh H 1 vxc OK > * hyb_mgga_x_mvsh Li 2 exc OK > * hyb_mgga_x_mvsh Li 2 vxc OK > * hyb_mgga_x_mvsh Li 1 exc OK > * hyb_mgga_x_mvsh Li 1 vxc OK > * hyb_mgga_x_pjs18 BrOH+ 2 exc OK > * hyb_mgga_x_pjs18 BrOH+ 2 vxc OK > * hyb_mgga_x_pjs18 BrOH+ 1 exc OK > * hyb_mgga_x_pjs18 BrOH+ 1 vxc OK > * hyb_mgga_x_pjs18 BrOH 2 exc OK > * hyb_mgga_x_pjs18 BrOH 2 vxc OK > * hyb_mgga_x_pjs18 BrOH 1 exc OK > * hyb_mgga_x_pjs18 BrOH 1 vxc OK > * hyb_mgga_x_pjs18 H 2 exc OK > * hyb_mgga_x_pjs18 H 2 vxc OK > * hyb_mgga_x_pjs18 H 1 exc OK > * hyb_mgga_x_pjs18 H 1 vxc OK > * hyb_mgga_x_pjs18 Li 2 exc OK > * hyb_mgga_x_pjs18 Li 2 vxc OK > * hyb_mgga_x_pjs18 Li 1 exc OK > * hyb_mgga_x_pjs18 Li 1 vxc OK > * hyb_mgga_x_revm06 BrOH+ 2 exc OK > * hyb_mgga_x_revm06 BrOH+ 2 vxc OK > * hyb_mgga_x_revm06 BrOH+ 1 exc OK > * hyb_mgga_x_revm06 BrOH+ 1 vxc OK > * hyb_mgga_x_revm06 BrOH 2 exc OK > * hyb_mgga_x_revm06 BrOH 2 vxc OK > * hyb_mgga_x_revm06 BrOH 1 exc OK > * hyb_mgga_x_revm06 BrOH 1 vxc OK > * hyb_mgga_x_revm06 H 2 exc OK > * hyb_mgga_x_revm06 H 2 vxc OK > * hyb_mgga_x_revm06 H 1 exc OK > * hyb_mgga_x_revm06 H 1 vxc OK > * hyb_mgga_x_revm06 Li 2 exc OK > * hyb_mgga_x_revm06 Li 2 vxc OK > * hyb_mgga_x_revm06 Li 1 exc OK > * hyb_mgga_x_revm06 Li 1 vxc OK > * hyb_mgga_x_revm11 BrOH+ 2 exc OK > * hyb_mgga_x_revm11 BrOH+ 2 vxc OK > * hyb_mgga_x_revm11 BrOH+ 1 exc OK > * hyb_mgga_x_revm11 BrOH+ 1 vxc OK > * hyb_mgga_x_revm11 BrOH 2 exc OK > * hyb_mgga_x_revm11 BrOH 2 vxc OK > * hyb_mgga_x_revm11 BrOH 1 exc OK > * hyb_mgga_x_revm11 BrOH 1 vxc OK > * hyb_mgga_x_revm11 H 2 exc OK > * hyb_mgga_x_revm11 H 1 exc OK > * hyb_mgga_x_revm11 H 1 vxc OK > * hyb_mgga_x_revm11 Li 2 exc OK > * hyb_mgga_x_revm11 Li 2 vxc OK > * hyb_mgga_x_revm11 Li 1 exc OK > * hyb_mgga_x_revm11 Li 1 vxc OK > * hyb_mgga_x_scan0 BrOH+ 2 exc OK > * hyb_mgga_x_scan0 BrOH+ 2 vxc OK > * hyb_mgga_x_scan0 BrOH+ 1 exc OK > * hyb_mgga_x_scan0 BrOH+ 1 vxc OK > * hyb_mgga_x_scan0 BrOH 2 exc OK > * hyb_mgga_x_scan0 BrOH 2 vxc OK > * hyb_mgga_x_scan0 BrOH 1 exc OK > * hyb_mgga_x_scan0 BrOH 1 vxc OK > * hyb_mgga_x_scan0 H 2 exc OK > * hyb_mgga_x_scan0 H 2 vxc OK > * hyb_mgga_x_scan0 H 1 exc OK > * hyb_mgga_x_scan0 H 1 vxc OK > * hyb_mgga_x_scan0 Li 2 exc OK > * hyb_mgga_x_scan0 Li 2 vxc OK > * hyb_mgga_x_scan0 Li 1 exc OK > * hyb_mgga_x_scan0 Li 1 vxc OK > * hyb_mgga_x_tau_hcth BrOH+ 2 exc OK > * hyb_mgga_x_tau_hcth BrOH+ 2 vxc OK > * hyb_mgga_x_tau_hcth BrOH+ 1 exc OK > * hyb_mgga_x_tau_hcth BrOH+ 1 vxc OK > * hyb_mgga_x_tau_hcth BrOH 2 exc OK > * hyb_mgga_x_tau_hcth BrOH 2 vxc OK > * hyb_mgga_x_tau_hcth BrOH 1 exc OK > * hyb_mgga_x_tau_hcth BrOH 1 vxc OK > * hyb_mgga_x_tau_hcth H 2 exc OK > * hyb_mgga_x_tau_hcth H 2 vxc OK > * hyb_mgga_x_tau_hcth H 1 exc OK > * hyb_mgga_x_tau_hcth H 1 vxc OK > * hyb_mgga_x_tau_hcth Li 2 exc OK > * hyb_mgga_x_tau_hcth Li 2 vxc OK > * hyb_mgga_x_tau_hcth Li 1 exc OK > * hyb_mgga_x_tau_hcth Li 1 vxc OK > * hyb_mgga_xc_b0kcis BrOH+ 2 exc OK > * hyb_mgga_xc_b0kcis BrOH+ 2 vxc OK > * hyb_mgga_xc_b0kcis BrOH+ 1 exc OK > * hyb_mgga_xc_b0kcis BrOH+ 1 vxc OK > * hyb_mgga_xc_b0kcis BrOH 2 exc OK > * hyb_mgga_xc_b0kcis BrOH 2 vxc OK > * hyb_mgga_xc_b0kcis BrOH 1 exc OK > * hyb_mgga_xc_b0kcis BrOH 1 vxc OK > * hyb_mgga_xc_b0kcis H 2 exc OK > * hyb_mgga_xc_b0kcis H 1 exc OK > * hyb_mgga_xc_b0kcis H 1 vxc OK > * hyb_mgga_xc_b0kcis Li 2 exc OK > * hyb_mgga_xc_b0kcis Li 2 vxc OK > * hyb_mgga_xc_b0kcis Li 1 exc OK > * hyb_mgga_xc_b0kcis Li 1 vxc OK > * hyb_mgga_xc_b86b95 BrOH+ 2 exc OK > * hyb_mgga_xc_b86b95 BrOH+ 2 vxc OK > * hyb_mgga_xc_b86b95 BrOH+ 1 exc OK > * hyb_mgga_xc_b86b95 BrOH+ 1 vxc OK > * hyb_mgga_xc_b86b95 BrOH 2 exc OK > * hyb_mgga_xc_b86b95 BrOH 2 vxc OK > * hyb_mgga_xc_b86b95 BrOH 1 exc OK > * hyb_mgga_xc_b86b95 BrOH 1 vxc OK > * hyb_mgga_xc_b86b95 H 2 exc OK > * hyb_mgga_xc_b86b95 H 1 exc OK > * hyb_mgga_xc_b86b95 H 1 vxc OK > * hyb_mgga_xc_b86b95 Li 2 exc OK > * hyb_mgga_xc_b86b95 Li 2 vxc OK > * hyb_mgga_xc_b86b95 Li 1 exc OK > * hyb_mgga_xc_b86b95 Li 1 vxc OK > * hyb_mgga_xc_b88b95 BrOH+ 2 exc OK > * hyb_mgga_xc_b88b95 BrOH+ 2 vxc OK > * hyb_mgga_xc_b88b95 BrOH+ 1 exc OK > * hyb_mgga_xc_b88b95 BrOH+ 1 vxc OK > * hyb_mgga_xc_b88b95 BrOH 2 exc OK > * hyb_mgga_xc_b88b95 BrOH 2 vxc OK > * hyb_mgga_xc_b88b95 BrOH 1 exc OK > * hyb_mgga_xc_b88b95 BrOH 1 vxc OK > * hyb_mgga_xc_b88b95 H 2 exc OK > * hyb_mgga_xc_b88b95 H 1 exc OK > * hyb_mgga_xc_b88b95 H 1 vxc OK > * hyb_mgga_xc_b88b95 Li 2 exc OK > * hyb_mgga_xc_b88b95 Li 2 vxc OK > * hyb_mgga_xc_b88b95 Li 1 exc OK > * hyb_mgga_xc_b88b95 Li 1 vxc OK > * hyb_mgga_xc_b94_hyb BrOH+ 2 exc OK > * hyb_mgga_xc_b94_hyb BrOH+ 2 vxc OK > * hyb_mgga_xc_b94_hyb BrOH+ 1 exc OK > * hyb_mgga_xc_b94_hyb BrOH+ 1 vxc OK > * hyb_mgga_xc_b94_hyb BrOH 2 exc OK > * hyb_mgga_xc_b94_hyb BrOH 2 vxc OK > * hyb_mgga_xc_b94_hyb BrOH 1 exc OK > * hyb_mgga_xc_b94_hyb BrOH 1 vxc OK > * hyb_mgga_xc_b94_hyb H 1 exc OK > * hyb_mgga_xc_b94_hyb H 1 vxc OK > * hyb_mgga_xc_b94_hyb Li 2 exc OK > * hyb_mgga_xc_b94_hyb Li 2 vxc OK > * hyb_mgga_xc_b94_hyb Li 1 exc OK > * hyb_mgga_xc_b94_hyb Li 1 vxc OK > * hyb_mgga_xc_b98 BrOH+ 2 exc OK > * hyb_mgga_xc_b98 BrOH+ 2 vxc OK > * hyb_mgga_xc_b98 BrOH+ 1 exc OK > * hyb_mgga_xc_b98 BrOH+ 1 vxc OK > * hyb_mgga_xc_b98 BrOH 2 exc OK > * hyb_mgga_xc_b98 BrOH 2 vxc OK > * hyb_mgga_xc_b98 BrOH 1 exc OK > * hyb_mgga_xc_b98 BrOH 1 vxc OK > * hyb_mgga_xc_b98 H 2 exc OK > * hyb_mgga_xc_b98 H 1 exc OK > * hyb_mgga_xc_b98 H 1 vxc OK > * hyb_mgga_xc_b98 Li 2 exc OK > * hyb_mgga_xc_b98 Li 2 vxc OK > * hyb_mgga_xc_b98 Li 1 exc OK > * hyb_mgga_xc_b98 Li 1 vxc OK > * hyb_mgga_xc_bb1k BrOH+ 2 exc OK > * hyb_mgga_xc_bb1k BrOH+ 2 vxc OK > * hyb_mgga_xc_bb1k BrOH+ 1 exc OK > * hyb_mgga_xc_bb1k BrOH+ 1 vxc OK > * hyb_mgga_xc_bb1k BrOH 2 exc OK > * hyb_mgga_xc_bb1k BrOH 2 vxc OK > * hyb_mgga_xc_bb1k BrOH 1 exc OK > * hyb_mgga_xc_bb1k BrOH 1 vxc OK > * hyb_mgga_xc_bb1k H 2 exc OK > * hyb_mgga_xc_bb1k H 1 exc OK > * hyb_mgga_xc_bb1k H 1 vxc OK > * hyb_mgga_xc_bb1k Li 2 exc OK > * hyb_mgga_xc_bb1k Li 2 vxc OK > * hyb_mgga_xc_bb1k Li 1 exc OK > * hyb_mgga_xc_bb1k Li 1 vxc OK > * hyb_mgga_xc_edmggah BrOH+ 2 vxc OK > * hyb_mgga_xc_edmggah BrOH+ 1 exc OK > * hyb_mgga_xc_edmggah BrOH+ 1 vxc OK > * hyb_mgga_xc_edmggah H 2 vxc OK > * hyb_mgga_xc_edmggah H 1 vxc OK > * hyb_mgga_xc_edmggah Li 1 exc OK > * hyb_mgga_xc_edmggah Li 1 vxc OK > * hyb_mgga_xc_lc_tmlyp BrOH+ 2 exc OK > * hyb_mgga_xc_lc_tmlyp BrOH+ 2 vxc OK > * hyb_mgga_xc_lc_tmlyp BrOH+ 1 exc OK > * hyb_mgga_xc_lc_tmlyp BrOH+ 1 vxc OK > * hyb_mgga_xc_lc_tmlyp BrOH 2 exc OK > * hyb_mgga_xc_lc_tmlyp BrOH 2 vxc OK > * hyb_mgga_xc_lc_tmlyp BrOH 1 exc OK > * hyb_mgga_xc_lc_tmlyp BrOH 1 vxc OK > * hyb_mgga_xc_lc_tmlyp H 2 exc OK > * hyb_mgga_xc_lc_tmlyp H 2 vxc OK > * hyb_mgga_xc_lc_tmlyp H 1 exc OK > * hyb_mgga_xc_lc_tmlyp H 1 vxc OK > * hyb_mgga_xc_lc_tmlyp Li 2 exc OK > * hyb_mgga_xc_lc_tmlyp Li 2 vxc OK > * hyb_mgga_xc_lc_tmlyp Li 1 exc OK > * hyb_mgga_xc_lc_tmlyp Li 1 vxc OK > * hyb_mgga_xc_mpw1b95 BrOH+ 2 exc OK > * hyb_mgga_xc_mpw1b95 BrOH+ 2 vxc OK > * hyb_mgga_xc_mpw1b95 BrOH+ 1 exc OK > * hyb_mgga_xc_mpw1b95 BrOH+ 1 vxc OK > * hyb_mgga_xc_mpw1b95 BrOH 2 exc OK > * hyb_mgga_xc_mpw1b95 BrOH 2 vxc OK > * hyb_mgga_xc_mpw1b95 BrOH 1 exc OK > * hyb_mgga_xc_mpw1b95 BrOH 1 vxc OK > * hyb_mgga_xc_mpw1b95 H 2 exc OK > * hyb_mgga_xc_mpw1b95 H 1 exc OK > * hyb_mgga_xc_mpw1b95 H 1 vxc OK > * hyb_mgga_xc_mpw1b95 Li 2 exc OK > * hyb_mgga_xc_mpw1b95 Li 2 vxc OK > * hyb_mgga_xc_mpw1b95 Li 1 exc OK > * hyb_mgga_xc_mpw1b95 Li 1 vxc OK > * hyb_mgga_xc_mpw1kcis BrOH+ 2 exc OK > * hyb_mgga_xc_mpw1kcis BrOH+ 2 vxc OK > * hyb_mgga_xc_mpw1kcis BrOH+ 1 exc OK > * hyb_mgga_xc_mpw1kcis BrOH+ 1 vxc OK > * hyb_mgga_xc_mpw1kcis BrOH 2 exc OK > * hyb_mgga_xc_mpw1kcis BrOH 2 vxc OK > * hyb_mgga_xc_mpw1kcis BrOH 1 exc OK > * hyb_mgga_xc_mpw1kcis BrOH 1 vxc OK > * hyb_mgga_xc_mpw1kcis H 2 exc OK > * hyb_mgga_xc_mpw1kcis H 1 exc OK > * hyb_mgga_xc_mpw1kcis H 1 vxc OK > * hyb_mgga_xc_mpw1kcis Li 2 exc OK > * hyb_mgga_xc_mpw1kcis Li 2 vxc OK > * hyb_mgga_xc_mpw1kcis Li 1 exc OK > * hyb_mgga_xc_mpw1kcis Li 1 vxc OK > * hyb_mgga_xc_mpwb1k BrOH+ 2 exc OK > * hyb_mgga_xc_mpwb1k BrOH+ 2 vxc OK > * hyb_mgga_xc_mpwb1k BrOH+ 1 exc OK > * hyb_mgga_xc_mpwb1k BrOH+ 1 vxc OK > * hyb_mgga_xc_mpwb1k BrOH 2 exc OK > * hyb_mgga_xc_mpwb1k BrOH 2 vxc OK > * hyb_mgga_xc_mpwb1k BrOH 1 exc OK > * hyb_mgga_xc_mpwb1k BrOH 1 vxc OK > * hyb_mgga_xc_mpwb1k H 2 exc OK > * hyb_mgga_xc_mpwb1k H 1 exc OK > * hyb_mgga_xc_mpwb1k H 1 vxc OK > * hyb_mgga_xc_mpwb1k Li 2 exc OK > * hyb_mgga_xc_mpwb1k Li 2 vxc OK > * hyb_mgga_xc_mpwb1k Li 1 exc OK > * hyb_mgga_xc_mpwb1k Li 1 vxc OK > * hyb_mgga_xc_mpwkcis1k BrOH+ 2 exc OK > * hyb_mgga_xc_mpwkcis1k BrOH+ 2 vxc OK > * hyb_mgga_xc_mpwkcis1k BrOH+ 1 exc OK > * hyb_mgga_xc_mpwkcis1k BrOH+ 1 vxc OK > * hyb_mgga_xc_mpwkcis1k BrOH 2 exc OK > * hyb_mgga_xc_mpwkcis1k BrOH 2 vxc OK > * hyb_mgga_xc_mpwkcis1k BrOH 1 exc OK > * hyb_mgga_xc_mpwkcis1k BrOH 1 vxc OK > * hyb_mgga_xc_mpwkcis1k H 2 exc OK > * hyb_mgga_xc_mpwkcis1k H 1 exc OK > * hyb_mgga_xc_mpwkcis1k H 1 vxc OK > * hyb_mgga_xc_mpwkcis1k Li 2 exc OK > * hyb_mgga_xc_mpwkcis1k Li 2 vxc OK > * hyb_mgga_xc_mpwkcis1k Li 1 exc OK > * hyb_mgga_xc_mpwkcis1k Li 1 vxc OK > * hyb_mgga_xc_pbe1kcis BrOH+ 2 exc OK > * hyb_mgga_xc_pbe1kcis BrOH+ 2 vxc OK > * hyb_mgga_xc_pbe1kcis BrOH+ 1 exc OK > * hyb_mgga_xc_pbe1kcis BrOH+ 1 vxc OK > * hyb_mgga_xc_pbe1kcis BrOH 2 exc OK > * hyb_mgga_xc_pbe1kcis BrOH 2 vxc OK > * hyb_mgga_xc_pbe1kcis BrOH 1 exc OK > * hyb_mgga_xc_pbe1kcis BrOH 1 vxc OK > * hyb_mgga_xc_pbe1kcis H 2 exc OK > * hyb_mgga_xc_pbe1kcis H 1 exc OK > * hyb_mgga_xc_pbe1kcis H 1 vxc OK > * hyb_mgga_xc_pbe1kcis Li 2 exc OK > * hyb_mgga_xc_pbe1kcis Li 2 vxc OK > * hyb_mgga_xc_pbe1kcis Li 1 exc OK > * hyb_mgga_xc_pbe1kcis Li 1 vxc OK > * hyb_mgga_xc_pw6b95 BrOH+ 2 exc OK > * hyb_mgga_xc_pw6b95 BrOH+ 2 vxc OK > * hyb_mgga_xc_pw6b95 BrOH+ 1 exc OK > * hyb_mgga_xc_pw6b95 BrOH+ 1 vxc OK > * hyb_mgga_xc_pw6b95 BrOH 2 exc OK > * hyb_mgga_xc_pw6b95 BrOH 2 vxc OK > * hyb_mgga_xc_pw6b95 BrOH 1 exc OK > * hyb_mgga_xc_pw6b95 BrOH 1 vxc OK > * hyb_mgga_xc_pw6b95 H 2 exc OK > * hyb_mgga_xc_pw6b95 H 1 exc OK > * hyb_mgga_xc_pw6b95 H 1 vxc OK > * hyb_mgga_xc_pw6b95 Li 2 exc OK > * hyb_mgga_xc_pw6b95 Li 2 vxc OK > * hyb_mgga_xc_pw6b95 Li 1 exc OK > * hyb_mgga_xc_pw6b95 Li 1 vxc OK > * hyb_mgga_xc_pw86b95 BrOH+ 2 exc OK > * hyb_mgga_xc_pw86b95 BrOH+ 2 vxc OK > * hyb_mgga_xc_pw86b95 BrOH+ 1 exc OK > * hyb_mgga_xc_pw86b95 BrOH+ 1 vxc OK > * hyb_mgga_xc_pw86b95 BrOH 2 exc OK > * hyb_mgga_xc_pw86b95 BrOH 2 vxc OK > * hyb_mgga_xc_pw86b95 BrOH 1 exc OK > * hyb_mgga_xc_pw86b95 BrOH 1 vxc OK > * hyb_mgga_xc_pw86b95 H 2 exc OK > * hyb_mgga_xc_pw86b95 H 1 exc OK > * hyb_mgga_xc_pw86b95 H 1 vxc OK > * hyb_mgga_xc_pw86b95 Li 2 exc OK > * hyb_mgga_xc_pw86b95 Li 2 vxc OK > * hyb_mgga_xc_pw86b95 Li 1 exc OK > * hyb_mgga_xc_pw86b95 Li 1 vxc OK > * hyb_mgga_xc_pwb6k BrOH+ 2 exc OK > * hyb_mgga_xc_pwb6k BrOH+ 2 vxc OK > * hyb_mgga_xc_pwb6k BrOH+ 1 exc OK > * hyb_mgga_xc_pwb6k BrOH+ 1 vxc OK > * hyb_mgga_xc_pwb6k BrOH 2 exc OK > * hyb_mgga_xc_pwb6k BrOH 2 vxc OK > * hyb_mgga_xc_pwb6k BrOH 1 exc OK > * hyb_mgga_xc_pwb6k BrOH 1 vxc OK > * hyb_mgga_xc_pwb6k H 2 exc OK > * hyb_mgga_xc_pwb6k H 1 exc OK > * hyb_mgga_xc_pwb6k H 1 vxc OK > * hyb_mgga_xc_pwb6k Li 2 exc OK > * hyb_mgga_xc_pwb6k Li 2 vxc OK > * hyb_mgga_xc_pwb6k Li 1 exc OK > * hyb_mgga_xc_pwb6k Li 1 vxc OK > * hyb_mgga_xc_revtpssh BrOH+ 2 exc OK > * hyb_mgga_xc_revtpssh BrOH+ 2 vxc OK > * hyb_mgga_xc_revtpssh BrOH+ 1 exc OK > * hyb_mgga_xc_revtpssh BrOH+ 1 vxc OK > * hyb_mgga_xc_revtpssh BrOH 2 exc OK > * hyb_mgga_xc_revtpssh BrOH 2 vxc OK > * hyb_mgga_xc_revtpssh BrOH 1 exc OK > * hyb_mgga_xc_revtpssh BrOH 1 vxc OK > * hyb_mgga_xc_revtpssh Li 2 exc OK > * hyb_mgga_xc_revtpssh Li 2 vxc OK > * hyb_mgga_xc_revtpssh Li 1 exc OK > * hyb_mgga_xc_revtpssh Li 1 vxc OK > * hyb_mgga_xc_tpss0 BrOH+ 2 exc OK > * hyb_mgga_xc_tpss0 BrOH+ 2 vxc OK > * hyb_mgga_xc_tpss0 BrOH+ 1 exc OK > * hyb_mgga_xc_tpss0 BrOH+ 1 vxc OK > * hyb_mgga_xc_tpss0 BrOH 2 exc OK > * hyb_mgga_xc_tpss0 BrOH 2 vxc OK > * hyb_mgga_xc_tpss0 BrOH 1 exc OK > * hyb_mgga_xc_tpss0 BrOH 1 vxc OK > * hyb_mgga_xc_tpss0 H 2 exc OK > * hyb_mgga_xc_tpss0 H 1 exc OK > * hyb_mgga_xc_tpss0 H 1 vxc >5 0 -9.1054178021e-02 -9.0704708392e-02 3.203046e-04 > >5 1 -2.2792485969e+00 -2.3841453575e+00 3.099653e-02 > >5 3 8.8710667939e-05 7.7603363821e-04 6.867900e-04 > FAIL > * hyb_mgga_xc_tpss0 Li 2 exc OK > * hyb_mgga_xc_tpss0 Li 2 vxc OK > * hyb_mgga_xc_tpss0 Li 1 exc OK > * hyb_mgga_xc_tpss0 Li 1 vxc OK > * hyb_mgga_xc_tpss1kcis BrOH+ 2 exc OK > * hyb_mgga_xc_tpss1kcis BrOH+ 2 vxc OK > * hyb_mgga_xc_tpss1kcis BrOH+ 1 exc OK > * hyb_mgga_xc_tpss1kcis BrOH+ 1 vxc OK > * hyb_mgga_xc_tpss1kcis BrOH 2 exc OK > * hyb_mgga_xc_tpss1kcis BrOH 2 vxc OK > * hyb_mgga_xc_tpss1kcis BrOH 1 exc OK > * hyb_mgga_xc_tpss1kcis BrOH 1 vxc OK > * hyb_mgga_xc_tpss1kcis H 2 exc OK > * hyb_mgga_xc_tpss1kcis H 1 exc OK > * hyb_mgga_xc_tpss1kcis H 1 vxc OK > * hyb_mgga_xc_tpss1kcis Li 2 exc OK > * hyb_mgga_xc_tpss1kcis Li 2 vxc OK > * hyb_mgga_xc_tpss1kcis Li 1 exc OK > * hyb_mgga_xc_tpss1kcis Li 1 vxc OK > * hyb_mgga_xc_tpssh BrOH+ 2 exc OK > * hyb_mgga_xc_tpssh BrOH+ 2 vxc OK > * hyb_mgga_xc_tpssh BrOH+ 1 exc OK > * hyb_mgga_xc_tpssh BrOH+ 1 vxc OK > * hyb_mgga_xc_tpssh BrOH 2 exc OK > * hyb_mgga_xc_tpssh BrOH 2 vxc OK > * hyb_mgga_xc_tpssh BrOH 1 exc OK > * hyb_mgga_xc_tpssh BrOH 1 vxc OK > * hyb_mgga_xc_tpssh H 2 exc OK > * hyb_mgga_xc_tpssh H 1 exc OK > * hyb_mgga_xc_tpssh H 1 vxc >5 0 -1.0845339203e-01 -1.0810392240e-01 3.152768e-04 > >5 1 -2.8098679164e+00 -2.9147646770e+00 2.679516e-02 > >5 3 1.0645280153e-04 7.9377577179e-04 6.867778e-04 > FAIL > * hyb_mgga_xc_tpssh Li 2 exc OK > * hyb_mgga_xc_tpssh Li 2 vxc OK > * hyb_mgga_xc_tpssh Li 1 exc OK > * hyb_mgga_xc_tpssh Li 1 vxc OK > * hyb_mgga_xc_wb97m_v BrOH+ 2 exc OK > * hyb_mgga_xc_wb97m_v BrOH+ 2 vxc OK > * hyb_mgga_xc_wb97m_v BrOH+ 1 exc OK > * hyb_mgga_xc_wb97m_v BrOH+ 1 vxc OK > * hyb_mgga_xc_wb97m_v BrOH 2 exc OK > * hyb_mgga_xc_wb97m_v BrOH 2 vxc OK > * hyb_mgga_xc_wb97m_v BrOH 1 exc OK > * hyb_mgga_xc_wb97m_v BrOH 1 vxc OK > * hyb_mgga_xc_wb97m_v H 2 exc OK > * hyb_mgga_xc_wb97m_v H 1 exc OK > * hyb_mgga_xc_wb97m_v H 1 vxc OK > * hyb_mgga_xc_wb97m_v Li 2 exc OK > * hyb_mgga_xc_wb97m_v Li 2 vxc OK > * hyb_mgga_xc_wb97m_v Li 1 exc OK > * hyb_mgga_xc_wb97m_v Li 1 vxc OK > * hyb_mgga_xc_x1b95 BrOH+ 2 exc OK > * hyb_mgga_xc_x1b95 BrOH+ 2 vxc OK > * hyb_mgga_xc_x1b95 BrOH+ 1 exc OK > * hyb_mgga_xc_x1b95 BrOH+ 1 vxc OK > * hyb_mgga_xc_x1b95 BrOH 2 exc OK > * hyb_mgga_xc_x1b95 BrOH 2 vxc OK > * hyb_mgga_xc_x1b95 BrOH 1 exc OK > * hyb_mgga_xc_x1b95 BrOH 1 vxc OK > * hyb_mgga_xc_x1b95 H 2 exc OK > * hyb_mgga_xc_x1b95 H 1 exc OK > * hyb_mgga_xc_x1b95 H 1 vxc OK > * hyb_mgga_xc_x1b95 Li 2 exc OK > * hyb_mgga_xc_x1b95 Li 2 vxc OK > * hyb_mgga_xc_x1b95 Li 1 exc OK > * hyb_mgga_xc_x1b95 Li 1 vxc OK > * hyb_mgga_xc_xb1k BrOH+ 2 exc OK > * hyb_mgga_xc_xb1k BrOH+ 2 vxc OK > * hyb_mgga_xc_xb1k BrOH+ 1 exc OK > * hyb_mgga_xc_xb1k BrOH+ 1 vxc OK > * hyb_mgga_xc_xb1k BrOH 2 exc OK > * hyb_mgga_xc_xb1k BrOH 2 vxc OK > * hyb_mgga_xc_xb1k BrOH 1 exc OK > * hyb_mgga_xc_xb1k BrOH 1 vxc OK > * hyb_mgga_xc_xb1k H 2 exc OK > * hyb_mgga_xc_xb1k H 1 exc OK > * hyb_mgga_xc_xb1k H 1 vxc OK > * hyb_mgga_xc_xb1k Li 2 exc OK > * hyb_mgga_xc_xb1k Li 2 vxc OK > * hyb_mgga_xc_xb1k Li 1 exc OK > * hyb_mgga_xc_xb1k Li 1 vxc OK > * lda_c_1d_csc BrOH+ 2 exc OK > * lda_c_1d_csc BrOH+ 2 vxc OK > * lda_c_1d_csc BrOH+ 1 exc OK > * lda_c_1d_csc BrOH+ 1 vxc OK > * lda_c_1d_csc BrOH 2 exc OK > * lda_c_1d_csc BrOH 2 vxc OK > * lda_c_1d_csc BrOH 1 exc OK > * lda_c_1d_csc BrOH 1 vxc OK > * lda_c_1d_csc H 2 exc OK > * lda_c_1d_csc H 2 vxc OK > * lda_c_1d_csc H 1 exc OK > * lda_c_1d_csc H 1 vxc OK > * lda_c_1d_csc Li 2 exc OK > * lda_c_1d_csc Li 2 vxc OK > * lda_c_1d_csc Li 1 exc OK > * lda_c_1d_csc Li 1 vxc OK > * lda_c_1d_loos BrOH+ 2 exc OK > * lda_c_1d_loos BrOH+ 2 vxc OK > * lda_c_1d_loos BrOH+ 1 exc OK > * lda_c_1d_loos BrOH+ 1 vxc OK > * lda_c_1d_loos BrOH 2 exc OK > * lda_c_1d_loos BrOH 2 vxc OK > * lda_c_1d_loos BrOH 1 exc OK > * lda_c_1d_loos BrOH 1 vxc OK > * lda_c_1d_loos H 2 exc OK > * lda_c_1d_loos H 2 vxc OK > * lda_c_1d_loos H 1 exc OK > * lda_c_1d_loos H 1 vxc OK > * lda_c_1d_loos Li 2 exc OK > * lda_c_1d_loos Li 2 vxc OK > * lda_c_1d_loos Li 1 exc OK > * lda_c_1d_loos Li 1 vxc OK > * lda_c_2d_amgb BrOH+ 2 exc OK > * lda_c_2d_amgb BrOH+ 2 vxc OK > * lda_c_2d_amgb BrOH+ 1 exc OK > * lda_c_2d_amgb BrOH+ 1 vxc OK > * lda_c_2d_amgb BrOH 2 exc OK > * lda_c_2d_amgb BrOH 2 vxc OK > * lda_c_2d_amgb BrOH 1 exc OK > * lda_c_2d_amgb BrOH 1 vxc OK > * lda_c_2d_amgb H 2 exc OK > * lda_c_2d_amgb H 2 vxc OK > * lda_c_2d_amgb H 1 exc OK > * lda_c_2d_amgb H 1 vxc OK > * lda_c_2d_amgb Li 2 exc OK > * lda_c_2d_amgb Li 2 vxc OK > * lda_c_2d_amgb Li 1 exc OK > * lda_c_2d_amgb Li 1 vxc OK > * lda_c_2d_prm BrOH+ 2 exc OK > * lda_c_2d_prm BrOH+ 2 vxc OK > * lda_c_2d_prm BrOH+ 1 exc OK > * lda_c_2d_prm BrOH+ 1 vxc OK > * lda_c_2d_prm BrOH 2 exc OK > * lda_c_2d_prm BrOH 2 vxc OK > * lda_c_2d_prm BrOH 1 exc OK > * lda_c_2d_prm BrOH 1 vxc OK > * lda_c_2d_prm H 2 exc OK > * lda_c_2d_prm H 2 vxc OK > * lda_c_2d_prm H 1 exc OK > * lda_c_2d_prm H 1 vxc OK > * lda_c_2d_prm Li 2 exc OK > * lda_c_2d_prm Li 2 vxc OK > * lda_c_2d_prm Li 1 exc OK > * lda_c_2d_prm Li 1 vxc OK > * lda_c_br78 BrOH+ 2 exc OK > * lda_c_br78 BrOH+ 2 vxc OK > * lda_c_br78 BrOH+ 1 exc OK > * lda_c_br78 BrOH+ 1 vxc OK > * lda_c_br78 BrOH 2 exc OK > * lda_c_br78 BrOH 2 vxc OK > * lda_c_br78 BrOH 1 exc OK > * lda_c_br78 BrOH 1 vxc OK > * lda_c_br78 H 2 exc OK > * lda_c_br78 H 2 vxc OK > * lda_c_br78 H 1 exc OK > * lda_c_br78 H 1 vxc OK > * lda_c_br78 Li 2 exc OK > * lda_c_br78 Li 2 vxc OK > * lda_c_br78 Li 1 exc OK > * lda_c_br78 Li 1 vxc OK > * lda_c_chachiyo BrOH+ 2 exc OK > * lda_c_chachiyo BrOH+ 2 vxc OK > * lda_c_chachiyo BrOH+ 1 exc OK > * lda_c_chachiyo BrOH+ 1 vxc OK > * lda_c_chachiyo BrOH 2 exc OK > * lda_c_chachiyo BrOH 2 vxc OK > * lda_c_chachiyo BrOH 1 exc OK > * lda_c_chachiyo BrOH 1 vxc OK > * lda_c_chachiyo H 2 exc OK > * lda_c_chachiyo H 2 vxc OK > * lda_c_chachiyo H 1 exc OK > * lda_c_chachiyo H 1 vxc OK > * lda_c_chachiyo Li 2 exc OK > * lda_c_chachiyo Li 2 vxc OK > * lda_c_chachiyo Li 1 exc OK > * lda_c_chachiyo Li 1 vxc OK > * lda_c_chachiyo_mod BrOH+ 2 exc OK > * lda_c_chachiyo_mod BrOH+ 2 vxc OK > * lda_c_chachiyo_mod BrOH+ 1 exc OK > * lda_c_chachiyo_mod BrOH+ 1 vxc OK > * lda_c_chachiyo_mod BrOH 2 exc OK > * lda_c_chachiyo_mod BrOH 2 vxc OK > * lda_c_chachiyo_mod BrOH 1 exc OK > * lda_c_chachiyo_mod BrOH 1 vxc OK > * lda_c_chachiyo_mod H 2 exc OK > * lda_c_chachiyo_mod H 2 vxc >3 1 -1.4686765325e+03 -1.4692612041e+03 3.976651e-04 > FAIL > * lda_c_chachiyo_mod H 1 exc OK > * lda_c_chachiyo_mod H 1 vxc OK > * lda_c_chachiyo_mod Li 2 exc OK > * lda_c_chachiyo_mod Li 2 vxc OK > * lda_c_chachiyo_mod Li 1 exc OK > * lda_c_chachiyo_mod Li 1 vxc OK > * lda_c_gk72 BrOH+ 2 exc OK > * lda_c_gk72 BrOH+ 2 vxc OK > * lda_c_gk72 BrOH+ 1 exc OK > * lda_c_gk72 BrOH+ 1 vxc OK > * lda_c_gk72 BrOH 2 exc OK > * lda_c_gk72 BrOH 2 vxc OK > * lda_c_gk72 BrOH 1 exc OK > * lda_c_gk72 BrOH 1 vxc OK > * lda_c_gk72 H 2 exc OK > * lda_c_gk72 H 2 vxc OK > * lda_c_gk72 H 1 exc OK > * lda_c_gk72 H 1 vxc OK > * lda_c_gk72 Li 2 exc OK > * lda_c_gk72 Li 2 vxc OK > * lda_c_gk72 Li 1 exc OK > * lda_c_gk72 Li 1 vxc OK > * lda_c_gl BrOH+ 2 exc OK > * lda_c_gl BrOH+ 2 vxc OK > * lda_c_gl BrOH+ 1 exc OK > * lda_c_gl BrOH+ 1 vxc OK > * lda_c_gl BrOH 2 exc OK > * lda_c_gl BrOH 2 vxc OK > * lda_c_gl BrOH 1 exc OK > * lda_c_gl BrOH 1 vxc OK > * lda_c_gl H 2 exc OK > * lda_c_gl H 2 vxc OK > * lda_c_gl H 1 exc OK > * lda_c_gl H 1 vxc OK > * lda_c_gl Li 2 exc OK > * lda_c_gl Li 2 vxc OK > * lda_c_gl Li 1 exc OK > * lda_c_gl Li 1 vxc OK > * lda_c_gombas BrOH+ 2 exc OK > * lda_c_gombas BrOH+ 2 vxc OK > * lda_c_gombas BrOH+ 1 exc OK > * lda_c_gombas BrOH+ 1 vxc OK > * lda_c_gombas BrOH 2 exc OK > * lda_c_gombas BrOH 2 vxc OK > * lda_c_gombas BrOH 1 exc OK > * lda_c_gombas BrOH 1 vxc OK > * lda_c_gombas H 2 exc OK > * lda_c_gombas H 2 vxc OK > * lda_c_gombas H 1 exc OK > * lda_c_gombas H 1 vxc OK > * lda_c_gombas Li 2 exc OK > * lda_c_gombas Li 2 vxc OK > * lda_c_gombas Li 1 exc OK > * lda_c_gombas Li 1 vxc OK > * lda_c_hl BrOH+ 2 exc OK > * lda_c_hl BrOH+ 2 vxc OK > * lda_c_hl BrOH+ 1 exc OK > * lda_c_hl BrOH+ 1 vxc OK > * lda_c_hl BrOH 2 exc OK > * lda_c_hl BrOH 2 vxc OK > * lda_c_hl BrOH 1 exc OK > * lda_c_hl BrOH 1 vxc OK > * lda_c_hl H 2 exc OK > * lda_c_hl H 2 vxc OK > * lda_c_hl H 1 exc OK > * lda_c_hl H 1 vxc OK > * lda_c_hl Li 2 exc OK > * lda_c_hl Li 2 vxc OK > * lda_c_hl Li 1 exc OK > * lda_c_hl Li 1 vxc OK > * lda_c_karasiev_mod BrOH+ 2 exc OK > * lda_c_karasiev_mod BrOH+ 2 vxc OK > * lda_c_karasiev_mod BrOH+ 1 exc OK > * lda_c_karasiev_mod BrOH+ 1 vxc OK > * lda_c_karasiev_mod BrOH 2 exc OK > * lda_c_karasiev_mod BrOH 2 vxc OK > * lda_c_karasiev_mod BrOH 1 exc OK > * lda_c_karasiev_mod BrOH 1 vxc OK > * lda_c_karasiev_mod H 2 exc OK > * lda_c_karasiev_mod H 2 vxc >3 1 -1.5057458391e+03 -1.5063452680e+03 3.976719e-04 > FAIL > * lda_c_karasiev_mod H 1 exc OK > * lda_c_karasiev_mod H 1 vxc OK > * lda_c_karasiev_mod Li 2 exc OK > * lda_c_karasiev_mod Li 2 vxc OK > * lda_c_karasiev_mod Li 1 exc OK > * lda_c_karasiev_mod Li 1 vxc OK > * lda_c_lp96 BrOH+ 2 exc OK > * lda_c_lp96 BrOH+ 2 vxc OK > * lda_c_lp96 BrOH+ 1 exc OK > * lda_c_lp96 BrOH+ 1 vxc OK > * lda_c_lp96 BrOH 2 exc OK > * lda_c_lp96 BrOH 2 vxc OK > * lda_c_lp96 BrOH 1 exc OK > * lda_c_lp96 BrOH 1 vxc OK > * lda_c_lp96 H 2 exc OK > * lda_c_lp96 H 2 vxc OK > * lda_c_lp96 H 1 exc OK > * lda_c_lp96 H 1 vxc OK > * lda_c_lp96 Li 2 exc OK > * lda_c_lp96 Li 2 vxc OK > * lda_c_lp96 Li 1 exc OK > * lda_c_lp96 Li 1 vxc OK > * lda_c_mcweeny BrOH+ 2 exc OK > * lda_c_mcweeny BrOH+ 2 vxc OK > * lda_c_mcweeny BrOH+ 1 exc OK > * lda_c_mcweeny BrOH+ 1 vxc OK > * lda_c_mcweeny BrOH 2 exc OK > * lda_c_mcweeny BrOH 2 vxc OK > * lda_c_mcweeny BrOH 1 exc OK > * lda_c_mcweeny BrOH 1 vxc OK > * lda_c_mcweeny H 2 exc OK > * lda_c_mcweeny H 2 vxc OK > * lda_c_mcweeny H 1 exc OK > * lda_c_mcweeny H 1 vxc OK > * lda_c_mcweeny Li 2 exc OK > * lda_c_mcweeny Li 2 vxc OK > * lda_c_mcweeny Li 1 exc OK > * lda_c_mcweeny Li 1 vxc OK > * lda_c_ml1 BrOH+ 2 exc OK > * lda_c_ml1 BrOH+ 2 vxc OK > * lda_c_ml1 BrOH+ 1 exc OK > * lda_c_ml1 BrOH+ 1 vxc OK > * lda_c_ml1 BrOH 2 exc OK > * lda_c_ml1 BrOH 2 vxc OK > * lda_c_ml1 BrOH 1 exc OK > * lda_c_ml1 BrOH 1 vxc OK > * lda_c_ml1 H 1 exc OK > * lda_c_ml1 H 1 vxc OK > * lda_c_ml1 Li 2 exc OK > * lda_c_ml1 Li 2 vxc OK > * lda_c_ml1 Li 1 exc OK > * lda_c_ml1 Li 1 vxc OK > * lda_c_ml2 BrOH+ 2 exc OK > * lda_c_ml2 BrOH+ 2 vxc OK > * lda_c_ml2 BrOH+ 1 exc OK > * lda_c_ml2 BrOH+ 1 vxc OK > * lda_c_ml2 BrOH 2 exc OK > * lda_c_ml2 BrOH 2 vxc OK > * lda_c_ml2 BrOH 1 exc OK > * lda_c_ml2 BrOH 1 vxc OK > * lda_c_ml2 H 2 exc OK > * lda_c_ml2 H 1 exc OK > * lda_c_ml2 H 1 vxc OK > * lda_c_ml2 Li 2 exc OK > * lda_c_ml2 Li 2 vxc OK > * lda_c_ml2 Li 1 exc OK > * lda_c_ml2 Li 1 vxc OK > * lda_c_ob_pw BrOH+ 2 exc OK > * lda_c_ob_pw BrOH+ 2 vxc OK > * lda_c_ob_pw BrOH+ 1 exc OK > * lda_c_ob_pw BrOH+ 1 vxc OK > * lda_c_ob_pw BrOH 2 exc OK > * lda_c_ob_pw BrOH 2 vxc OK > * lda_c_ob_pw BrOH 1 exc OK > * lda_c_ob_pw BrOH 1 vxc OK > * lda_c_ob_pw H 2 exc OK > * lda_c_ob_pw H 2 vxc OK > * lda_c_ob_pw H 1 exc OK > * lda_c_ob_pw H 1 vxc OK > * lda_c_ob_pw Li 2 exc OK > * lda_c_ob_pw Li 2 vxc OK > * lda_c_ob_pw Li 1 exc OK > * lda_c_ob_pw Li 1 vxc OK > * lda_c_ob_pz BrOH+ 2 exc OK > * lda_c_ob_pz BrOH+ 2 vxc OK > * lda_c_ob_pz BrOH+ 1 exc OK > * lda_c_ob_pz BrOH+ 1 vxc OK > * lda_c_ob_pz BrOH 2 exc OK > * lda_c_ob_pz BrOH 2 vxc OK > * lda_c_ob_pz BrOH 1 exc OK > * lda_c_ob_pz BrOH 1 vxc OK > * lda_c_ob_pz H 2 exc OK > * lda_c_ob_pz H 2 vxc OK > * lda_c_ob_pz H 1 exc OK > * lda_c_ob_pz H 1 vxc OK > * lda_c_ob_pz Li 2 exc OK > * lda_c_ob_pz Li 2 vxc OK > * lda_c_ob_pz Li 1 exc OK > * lda_c_ob_pz Li 1 vxc OK > * lda_c_ow BrOH+ 2 exc OK > * lda_c_ow BrOH+ 2 vxc OK > * lda_c_ow BrOH+ 1 exc OK > * lda_c_ow BrOH+ 1 vxc OK > * lda_c_ow BrOH 2 exc OK > * lda_c_ow BrOH 2 vxc OK > * lda_c_ow BrOH 1 exc OK > * lda_c_ow BrOH 1 vxc OK > * lda_c_ow H 2 exc OK > * lda_c_ow H 2 vxc OK > * lda_c_ow H 1 exc OK > * lda_c_ow H 1 vxc OK > * lda_c_ow Li 2 exc OK > * lda_c_ow Li 2 vxc OK > * lda_c_ow Li 1 exc OK > * lda_c_ow Li 1 vxc OK > * lda_c_ow_lyp BrOH+ 2 exc OK > * lda_c_ow_lyp BrOH+ 2 vxc OK > * lda_c_ow_lyp BrOH+ 1 exc OK > * lda_c_ow_lyp BrOH+ 1 vxc OK > * lda_c_ow_lyp BrOH 2 exc OK > * lda_c_ow_lyp BrOH 2 vxc OK > * lda_c_ow_lyp BrOH 1 exc OK > * lda_c_ow_lyp BrOH 1 vxc OK > * lda_c_ow_lyp H 2 exc OK > * lda_c_ow_lyp H 2 vxc OK > * lda_c_ow_lyp H 1 exc OK > * lda_c_ow_lyp H 1 vxc OK > * lda_c_ow_lyp Li 2 exc OK > * lda_c_ow_lyp Li 2 vxc OK > * lda_c_ow_lyp Li 1 exc OK > * lda_c_ow_lyp Li 1 vxc OK > * lda_c_pk09 BrOH+ 2 exc OK > * lda_c_pk09 BrOH+ 2 vxc OK > * lda_c_pk09 BrOH+ 1 exc OK > * lda_c_pk09 BrOH+ 1 vxc OK > * lda_c_pk09 BrOH 2 exc OK > * lda_c_pk09 BrOH 2 vxc OK > * lda_c_pk09 BrOH 1 exc OK > * lda_c_pk09 BrOH 1 vxc OK > * lda_c_pk09 H 2 exc OK > * lda_c_pk09 H 2 vxc >2 1 -2.9257971466e+07 -2.9284899709e+07 9.195265e-04 > >3 1 -2.0941004292e+07 -2.0910411464e+07 1.460905e-03 > >4 1 -4.0919427661e+06 -4.0913517155e+06 1.444425e-04 > FAIL > * lda_c_pk09 H 1 exc OK > * lda_c_pk09 H 1 vxc OK > * lda_c_pk09 Li 2 exc OK > * lda_c_pk09 Li 2 vxc OK > * lda_c_pk09 Li 1 exc OK > * lda_c_pk09 Li 1 vxc OK > * lda_c_pmgb06 BrOH+ 2 exc OK > * lda_c_pmgb06 BrOH+ 2 vxc OK > * lda_c_pmgb06 BrOH+ 1 exc OK > * lda_c_pmgb06 BrOH+ 1 vxc OK > * lda_c_pmgb06 BrOH 2 exc OK > * lda_c_pmgb06 BrOH 2 vxc OK > * lda_c_pmgb06 BrOH 1 exc OK > * lda_c_pmgb06 BrOH 1 vxc OK > * lda_c_pmgb06 H 2 exc OK > * lda_c_pmgb06 H 2 vxc >2 1 -7.7321082306e+01 -7.7325347630e+01 5.445649e-05 > FAIL > * lda_c_pmgb06 H 1 exc OK > * lda_c_pmgb06 H 1 vxc OK > * lda_c_pmgb06 Li 2 exc OK > * lda_c_pmgb06 Li 2 vxc OK > * lda_c_pmgb06 Li 1 exc OK > * lda_c_pmgb06 Li 1 vxc OK > * lda_c_pw BrOH+ 2 exc OK > * lda_c_pw BrOH+ 2 vxc OK > * lda_c_pw BrOH+ 2 fxc OK > * lda_c_pw BrOH+ 1 exc OK > * lda_c_pw BrOH+ 1 vxc OK > * lda_c_pw BrOH+ 1 fxc OK > * lda_c_pw BrOH 2 exc OK > * lda_c_pw BrOH 2 vxc OK > * lda_c_pw BrOH 2 fxc OK > * lda_c_pw BrOH 1 exc OK > * lda_c_pw BrOH 1 vxc OK > * lda_c_pw BrOH 1 fxc OK > * lda_c_pw H 2 exc OK > * lda_c_pw H 2 vxc OK > * lda_c_pw H 2 fxc OK > * lda_c_pw H 1 exc OK > * lda_c_pw H 1 vxc OK > * lda_c_pw H 1 fxc OK > * lda_c_pw Li 2 exc OK > * lda_c_pw Li 2 vxc OK > * lda_c_pw Li 2 fxc OK > * lda_c_pw Li 1 exc OK > * lda_c_pw Li 1 vxc OK > * lda_c_pw Li 1 fxc OK > * lda_c_pw_mod BrOH+ 2 exc OK > * lda_c_pw_mod BrOH+ 2 vxc OK > * lda_c_pw_mod BrOH+ 1 exc OK > * lda_c_pw_mod BrOH+ 1 vxc OK > * lda_c_pw_mod BrOH 2 exc OK > * lda_c_pw_mod BrOH 2 vxc OK > * lda_c_pw_mod BrOH 1 exc OK > * lda_c_pw_mod BrOH 1 vxc OK > * lda_c_pw_mod H 2 exc OK > * lda_c_pw_mod H 2 vxc OK > * lda_c_pw_mod H 1 exc OK > * lda_c_pw_mod H 1 vxc OK > * lda_c_pw_mod Li 2 exc OK > * lda_c_pw_mod Li 2 vxc OK > * lda_c_pw_mod Li 1 exc OK > * lda_c_pw_mod Li 1 vxc OK > * lda_c_pw_rpa BrOH+ 2 exc OK > * lda_c_pw_rpa BrOH+ 2 vxc OK > * lda_c_pw_rpa BrOH+ 1 exc OK > * lda_c_pw_rpa BrOH+ 1 vxc OK > * lda_c_pw_rpa BrOH 2 exc OK > * lda_c_pw_rpa BrOH 2 vxc OK > * lda_c_pw_rpa BrOH 1 exc OK > * lda_c_pw_rpa BrOH 1 vxc OK > * lda_c_pw_rpa H 2 exc OK > * lda_c_pw_rpa H 2 vxc OK > * lda_c_pw_rpa H 1 exc OK > * lda_c_pw_rpa H 1 vxc OK > * lda_c_pw_rpa Li 2 exc OK > * lda_c_pw_rpa Li 2 vxc OK > * lda_c_pw_rpa Li 1 exc OK > * lda_c_pw_rpa Li 1 vxc OK > * lda_c_pz BrOH+ 2 exc OK > * lda_c_pz BrOH+ 2 vxc OK > * lda_c_pz BrOH+ 1 exc OK > * lda_c_pz BrOH+ 1 vxc OK > * lda_c_pz BrOH 2 exc OK > * lda_c_pz BrOH 2 vxc OK > * lda_c_pz BrOH 1 exc OK > * lda_c_pz BrOH 1 vxc OK > * lda_c_pz H 2 exc OK > * lda_c_pz H 2 vxc OK > * lda_c_pz H 1 exc OK > * lda_c_pz H 1 vxc OK > * lda_c_pz Li 2 exc OK > * lda_c_pz Li 2 vxc OK > * lda_c_pz Li 1 exc OK > * lda_c_pz Li 1 vxc OK > * lda_c_pz_mod BrOH+ 2 exc OK > * lda_c_pz_mod BrOH+ 2 vxc OK > * lda_c_pz_mod BrOH+ 1 exc OK > * lda_c_pz_mod BrOH+ 1 vxc OK > * lda_c_pz_mod BrOH 2 exc OK > * lda_c_pz_mod BrOH 2 vxc OK > * lda_c_pz_mod BrOH 1 exc OK > * lda_c_pz_mod BrOH 1 vxc OK > * lda_c_pz_mod H 2 exc OK > * lda_c_pz_mod H 2 vxc OK > * lda_c_pz_mod H 1 exc OK > * lda_c_pz_mod H 1 vxc OK > * lda_c_pz_mod Li 2 exc OK > * lda_c_pz_mod Li 2 vxc OK > * lda_c_pz_mod Li 1 exc OK > * lda_c_pz_mod Li 1 vxc OK > * lda_c_rc04 BrOH+ 2 exc OK > * lda_c_rc04 BrOH+ 2 vxc OK > * lda_c_rc04 BrOH+ 1 exc OK > * lda_c_rc04 BrOH+ 1 vxc OK > * lda_c_rc04 BrOH 2 exc OK > * lda_c_rc04 BrOH 2 vxc OK > * lda_c_rc04 BrOH 1 exc OK > * lda_c_rc04 BrOH 1 vxc OK > * lda_c_rc04 H 2 exc OK > * lda_c_rc04 H 2 vxc >3 1 -1.4107990019e+03 -1.4113606345e+03 3.976553e-04 > FAIL > * lda_c_rc04 H 1 exc OK > * lda_c_rc04 H 1 vxc OK > * lda_c_rc04 Li 2 exc OK > * lda_c_rc04 Li 2 vxc OK > * lda_c_rc04 Li 1 exc OK > * lda_c_rc04 Li 1 vxc OK > * lda_c_rpa BrOH+ 2 exc OK > * lda_c_rpa BrOH+ 2 vxc OK > * lda_c_rpa BrOH+ 1 exc OK > * lda_c_rpa BrOH+ 1 vxc OK > * lda_c_rpa BrOH 2 exc OK > * lda_c_rpa BrOH 2 vxc OK > * lda_c_rpa BrOH 1 exc OK > * lda_c_rpa BrOH 1 vxc OK > * lda_c_rpa H 2 exc OK > * lda_c_rpa H 2 vxc OK > * lda_c_rpa H 1 exc OK > * lda_c_rpa H 1 vxc OK > * lda_c_rpa Li 2 exc OK > * lda_c_rpa Li 2 vxc OK > * lda_c_rpa Li 1 exc OK > * lda_c_rpa Li 1 vxc OK > * lda_c_rpw92 BrOH+ 2 exc OK > * lda_c_rpw92 BrOH+ 2 vxc OK > * lda_c_rpw92 BrOH+ 1 exc OK > * lda_c_rpw92 BrOH+ 1 vxc OK > * lda_c_rpw92 BrOH 2 exc OK > * lda_c_rpw92 BrOH 2 vxc OK > * lda_c_rpw92 BrOH 1 exc OK > * lda_c_rpw92 BrOH 1 vxc OK > * lda_c_rpw92 H 2 exc OK > * lda_c_rpw92 H 2 vxc OK > * lda_c_rpw92 H 1 exc OK > * lda_c_rpw92 H 1 vxc OK > * lda_c_rpw92 Li 2 exc OK > * lda_c_rpw92 Li 2 vxc OK > * lda_c_rpw92 Li 1 exc OK > * lda_c_rpw92 Li 1 vxc OK > * lda_c_upw92 BrOH+ 2 exc OK > * lda_c_upw92 BrOH+ 2 vxc OK > * lda_c_upw92 BrOH+ 1 exc OK > * lda_c_upw92 BrOH+ 1 vxc OK > * lda_c_upw92 BrOH 2 exc OK > * lda_c_upw92 BrOH 2 vxc OK > * lda_c_upw92 BrOH 1 exc OK > * lda_c_upw92 BrOH 1 vxc OK > * lda_c_upw92 H 2 exc OK > * lda_c_upw92 H 2 vxc OK > * lda_c_upw92 H 1 exc OK > * lda_c_upw92 H 1 vxc OK > * lda_c_upw92 Li 2 exc OK > * lda_c_upw92 Li 2 vxc OK > * lda_c_upw92 Li 1 exc OK > * lda_c_upw92 Li 1 vxc OK > * lda_c_vbh BrOH+ 2 exc OK > * lda_c_vbh BrOH+ 2 vxc OK > * lda_c_vbh BrOH+ 1 exc OK > * lda_c_vbh BrOH+ 1 vxc OK > * lda_c_vbh BrOH 2 exc OK > * lda_c_vbh BrOH 2 vxc OK > * lda_c_vbh BrOH 1 exc OK > * lda_c_vbh BrOH 1 vxc OK > * lda_c_vbh H 2 exc OK > * lda_c_vbh H 2 vxc OK > * lda_c_vbh H 1 exc OK > * lda_c_vbh H 1 vxc OK > * lda_c_vbh Li 2 exc OK > * lda_c_vbh Li 2 vxc OK > * lda_c_vbh Li 1 exc OK > * lda_c_vbh Li 1 vxc OK > * lda_c_vwn BrOH+ 2 exc OK > * lda_c_vwn BrOH+ 2 vxc OK > * lda_c_vwn BrOH+ 1 exc OK > * lda_c_vwn BrOH+ 1 vxc OK > * lda_c_vwn BrOH 2 exc OK > * lda_c_vwn BrOH 2 vxc OK > * lda_c_vwn BrOH 1 exc OK > * lda_c_vwn BrOH 1 vxc OK > * lda_c_vwn H 2 exc OK > * lda_c_vwn H 2 vxc OK > * lda_c_vwn H 1 exc OK > * lda_c_vwn H 1 vxc OK > * lda_c_vwn Li 2 exc OK > * lda_c_vwn Li 2 vxc OK > * lda_c_vwn Li 1 exc OK > * lda_c_vwn Li 1 vxc OK > * lda_c_vwn_1 BrOH+ 2 exc OK > * lda_c_vwn_1 BrOH+ 2 vxc OK > * lda_c_vwn_1 BrOH+ 1 exc OK > * lda_c_vwn_1 BrOH+ 1 vxc OK > * lda_c_vwn_1 BrOH 2 exc OK > * lda_c_vwn_1 BrOH 2 vxc OK > * lda_c_vwn_1 BrOH 1 exc OK > * lda_c_vwn_1 BrOH 1 vxc OK > * lda_c_vwn_1 H 2 exc OK > * lda_c_vwn_1 H 2 vxc OK > * lda_c_vwn_1 H 1 exc OK > * lda_c_vwn_1 H 1 vxc OK > * lda_c_vwn_1 Li 2 exc OK > * lda_c_vwn_1 Li 2 vxc OK > * lda_c_vwn_1 Li 1 exc OK > * lda_c_vwn_1 Li 1 vxc OK > * lda_c_vwn_2 BrOH+ 2 exc OK > * lda_c_vwn_2 BrOH+ 2 vxc OK > * lda_c_vwn_2 BrOH+ 1 exc OK > * lda_c_vwn_2 BrOH+ 1 vxc OK > * lda_c_vwn_2 BrOH 2 exc OK > * lda_c_vwn_2 BrOH 2 vxc OK > * lda_c_vwn_2 BrOH 1 exc OK > * lda_c_vwn_2 BrOH 1 vxc OK > * lda_c_vwn_2 H 2 exc OK > * lda_c_vwn_2 H 2 vxc OK > * lda_c_vwn_2 H 1 exc OK > * lda_c_vwn_2 H 1 vxc OK > * lda_c_vwn_2 Li 2 exc OK > * lda_c_vwn_2 Li 2 vxc OK > * lda_c_vwn_2 Li 1 exc OK > * lda_c_vwn_2 Li 1 vxc OK > * lda_c_vwn_3 BrOH+ 2 exc OK > * lda_c_vwn_3 BrOH+ 2 vxc OK > * lda_c_vwn_3 BrOH+ 1 exc OK > * lda_c_vwn_3 BrOH+ 1 vxc OK > * lda_c_vwn_3 BrOH 2 exc OK > * lda_c_vwn_3 BrOH 2 vxc OK > * lda_c_vwn_3 BrOH 1 exc OK > * lda_c_vwn_3 BrOH 1 vxc OK > * lda_c_vwn_3 H 2 exc OK > * lda_c_vwn_3 H 2 vxc OK > * lda_c_vwn_3 H 1 exc OK > * lda_c_vwn_3 H 1 vxc OK > * lda_c_vwn_3 Li 2 exc OK > * lda_c_vwn_3 Li 2 vxc OK > * lda_c_vwn_3 Li 1 exc OK > * lda_c_vwn_3 Li 1 vxc OK > * lda_c_vwn_4 BrOH+ 2 exc OK > * lda_c_vwn_4 BrOH+ 2 vxc OK > * lda_c_vwn_4 BrOH+ 1 exc OK > * lda_c_vwn_4 BrOH+ 1 vxc OK > * lda_c_vwn_4 BrOH 2 exc OK > * lda_c_vwn_4 BrOH 2 vxc OK > * lda_c_vwn_4 BrOH 1 exc OK > * lda_c_vwn_4 BrOH 1 vxc OK > * lda_c_vwn_4 H 2 exc OK > * lda_c_vwn_4 H 2 vxc OK > * lda_c_vwn_4 H 1 exc OK > * lda_c_vwn_4 H 1 vxc OK > * lda_c_vwn_4 Li 2 exc OK > * lda_c_vwn_4 Li 2 vxc OK > * lda_c_vwn_4 Li 1 exc OK > * lda_c_vwn_4 Li 1 vxc OK > * lda_c_vwn_rpa BrOH+ 2 exc OK > * lda_c_vwn_rpa BrOH+ 2 vxc OK > * lda_c_vwn_rpa BrOH+ 1 exc OK > * lda_c_vwn_rpa BrOH+ 1 vxc OK > * lda_c_vwn_rpa BrOH 2 exc OK > * lda_c_vwn_rpa BrOH 2 vxc OK > * lda_c_vwn_rpa BrOH 1 exc OK > * lda_c_vwn_rpa BrOH 1 vxc OK > * lda_c_vwn_rpa H 2 exc OK > * lda_c_vwn_rpa H 2 vxc OK > * lda_c_vwn_rpa H 1 exc OK > * lda_c_vwn_rpa H 1 vxc OK > * lda_c_vwn_rpa Li 2 exc OK > * lda_c_vwn_rpa Li 2 vxc OK > * lda_c_vwn_rpa Li 1 exc OK > * lda_c_vwn_rpa Li 1 vxc OK > * lda_c_w20 BrOH+ 2 exc OK > * lda_c_w20 BrOH+ 2 vxc OK > * lda_c_w20 BrOH+ 1 exc OK > * lda_c_w20 BrOH+ 1 vxc OK > * lda_c_w20 BrOH 2 exc OK > * lda_c_w20 BrOH 2 vxc OK > * lda_c_w20 BrOH 1 exc OK > * lda_c_w20 BrOH 1 vxc OK > * lda_c_w20 H 2 exc OK > * lda_c_w20 H 2 vxc OK > * lda_c_w20 H 1 exc OK > * lda_c_w20 H 1 vxc OK > * lda_c_w20 Li 2 exc OK > * lda_c_w20 Li 2 vxc OK > * lda_c_w20 Li 1 exc OK > * lda_c_w20 Li 1 vxc OK > * lda_c_wigner BrOH+ 2 exc OK > * lda_c_wigner BrOH+ 2 vxc OK > * lda_c_wigner BrOH+ 1 exc OK > * lda_c_wigner BrOH+ 1 vxc OK > * lda_c_wigner BrOH 2 exc OK > * lda_c_wigner BrOH 2 vxc OK > * lda_c_wigner BrOH 1 exc OK > * lda_c_wigner BrOH 1 vxc OK > * lda_c_wigner H 2 exc OK > * lda_c_wigner H 2 vxc OK > * lda_c_wigner H 1 exc OK > * lda_c_wigner H 1 vxc OK > * lda_c_wigner Li 2 exc OK > * lda_c_wigner Li 2 vxc OK > * lda_c_wigner Li 1 exc OK > * lda_c_wigner Li 1 vxc OK > * lda_c_xalpha BrOH+ 2 exc OK > * lda_c_xalpha BrOH+ 2 vxc OK > * lda_c_xalpha BrOH+ 1 exc OK > * lda_c_xalpha BrOH+ 1 vxc OK > * lda_c_xalpha BrOH 2 exc OK > * lda_c_xalpha BrOH 2 vxc OK > * lda_c_xalpha BrOH 1 exc OK > * lda_c_xalpha BrOH 1 vxc OK > * lda_c_xalpha H 2 exc OK > * lda_c_xalpha H 2 vxc OK > * lda_c_xalpha H 1 exc OK > * lda_c_xalpha H 1 vxc OK > * lda_c_xalpha Li 2 exc OK > * lda_c_xalpha Li 2 vxc OK > * lda_c_xalpha Li 1 exc OK > * lda_c_xalpha Li 1 vxc OK > * lda_k_lp BrOH+ 2 exc OK > * lda_k_lp BrOH+ 2 vxc OK > * lda_k_lp BrOH+ 1 exc OK > * lda_k_lp BrOH+ 1 vxc OK > * lda_k_lp BrOH 2 exc OK > * lda_k_lp BrOH 2 vxc OK > * lda_k_lp BrOH 1 exc OK > * lda_k_lp BrOH 1 vxc OK > * lda_k_lp H 2 exc OK > * lda_k_lp H 2 vxc OK > * lda_k_lp H 1 exc OK > * lda_k_lp H 1 vxc OK > * lda_k_lp Li 2 exc OK > * lda_k_lp Li 2 vxc OK > * lda_k_lp Li 1 exc OK > * lda_k_lp Li 1 vxc OK > * lda_k_tf BrOH+ 2 exc OK > * lda_k_tf BrOH+ 2 vxc OK > * lda_k_tf BrOH+ 1 exc OK > * lda_k_tf BrOH+ 1 vxc OK > * lda_k_tf BrOH 2 exc OK > * lda_k_tf BrOH 2 vxc OK > * lda_k_tf BrOH 1 exc OK > * lda_k_tf BrOH 1 vxc OK > * lda_k_tf H 2 exc OK > * lda_k_tf H 2 vxc OK > * lda_k_tf H 1 exc OK > * lda_k_tf H 1 vxc OK > * lda_k_tf Li 2 exc OK > * lda_k_tf Li 2 vxc OK > * lda_k_tf Li 1 exc OK > * lda_k_tf Li 1 vxc OK > * lda_k_zlp BrOH+ 2 exc OK > * lda_k_zlp BrOH+ 2 vxc OK > * lda_k_zlp BrOH+ 1 exc OK > * lda_k_zlp BrOH+ 1 vxc OK > * lda_k_zlp BrOH 2 exc OK > * lda_k_zlp BrOH 2 vxc OK > * lda_k_zlp BrOH 1 exc OK > * lda_k_zlp BrOH 1 vxc OK > * lda_k_zlp H 2 exc OK > * lda_k_zlp H 2 vxc OK > * lda_k_zlp H 1 exc OK > * lda_k_zlp H 1 vxc OK > * lda_k_zlp Li 2 exc OK > * lda_k_zlp Li 2 vxc OK > * lda_k_zlp Li 1 exc OK > * lda_k_zlp Li 1 vxc OK > * lda_x BrOH+ 2 exc OK > * lda_x BrOH+ 2 vxc OK > * lda_x BrOH+ 1 exc OK > * lda_x BrOH+ 1 vxc OK > * lda_x BrOH 2 exc OK > * lda_x BrOH 2 vxc OK > * lda_x BrOH 1 exc OK > * lda_x BrOH 1 vxc OK > * lda_x H 2 exc OK > * lda_x H 2 vxc OK > * lda_x H 1 exc OK > * lda_x H 1 vxc OK > * lda_x Li 2 exc OK > * lda_x Li 2 vxc OK > * lda_x Li 1 exc OK > * lda_x Li 1 vxc OK > * lda_x_1d_soft BrOH+ 2 exc OK > * lda_x_1d_soft BrOH+ 2 vxc OK > * lda_x_1d_soft BrOH+ 1 exc OK > * lda_x_1d_soft BrOH+ 1 vxc OK > * lda_x_1d_soft BrOH 2 exc OK > * lda_x_1d_soft BrOH 2 vxc OK > * lda_x_1d_soft BrOH 1 exc OK > * lda_x_1d_soft BrOH 1 vxc OK > * lda_x_1d_soft H 2 exc OK > * lda_x_1d_soft H 2 vxc OK > * lda_x_1d_soft H 1 exc OK > * lda_x_1d_soft H 1 vxc OK > * lda_x_1d_soft Li 2 exc OK > * lda_x_1d_soft Li 2 vxc OK > * lda_x_1d_soft Li 1 exc OK > * lda_x_1d_soft Li 1 vxc OK > * lda_x_2d BrOH+ 2 exc OK > * lda_x_2d BrOH+ 2 vxc OK > * lda_x_2d BrOH+ 1 exc OK > * lda_x_2d BrOH+ 1 vxc OK > * lda_x_2d BrOH 2 exc OK > * lda_x_2d BrOH 2 vxc OK > * lda_x_2d BrOH 1 exc OK > * lda_x_2d BrOH 1 vxc OK > * lda_x_2d H 2 exc OK > * lda_x_2d H 2 vxc OK > * lda_x_2d H 1 exc OK > * lda_x_2d H 1 vxc OK > * lda_x_2d Li 2 exc OK > * lda_x_2d Li 2 vxc OK > * lda_x_2d Li 1 exc OK > * lda_x_2d Li 1 vxc OK > * lda_x_erf BrOH+ 2 exc OK > * lda_x_erf BrOH+ 2 vxc OK > * lda_x_erf BrOH+ 1 exc OK > * lda_x_erf BrOH+ 1 vxc OK > * lda_x_erf BrOH 2 exc OK > * lda_x_erf BrOH 2 vxc OK > * lda_x_erf BrOH 1 exc OK > * lda_x_erf BrOH 1 vxc OK > * lda_x_erf H 2 exc OK > * lda_x_erf H 2 vxc OK > * lda_x_erf H 1 exc OK > * lda_x_erf H 1 vxc OK > * lda_x_erf Li 2 exc OK > * lda_x_erf Li 2 vxc OK > * lda_x_erf Li 1 exc OK > * lda_x_erf Li 1 vxc OK > * lda_x_rae BrOH+ 2 exc OK > * lda_x_rae BrOH+ 2 vxc OK > * lda_x_rae BrOH+ 1 exc OK > * lda_x_rae BrOH+ 1 vxc OK > * lda_x_rae BrOH 2 exc OK > * lda_x_rae BrOH 2 vxc OK > * lda_x_rae BrOH 1 exc OK > * lda_x_rae BrOH 1 vxc OK > * lda_x_rae H 2 exc OK > * lda_x_rae H 2 vxc OK > * lda_x_rae H 1 exc OK > * lda_x_rae H 1 vxc OK > * lda_x_rae Li 2 exc OK > * lda_x_rae Li 2 vxc OK > * lda_x_rae Li 1 exc OK > * lda_x_rae Li 1 vxc OK > * lda_x_rel BrOH+ 2 exc OK > * lda_x_rel BrOH+ 2 vxc OK > * lda_x_rel BrOH+ 1 exc OK > * lda_x_rel BrOH+ 1 vxc OK > * lda_x_rel BrOH 2 exc OK > * lda_x_rel BrOH 2 vxc OK > * lda_x_rel BrOH 1 exc OK > * lda_x_rel BrOH 1 vxc OK > * lda_x_rel H 2 exc OK > * lda_x_rel H 2 vxc OK > * lda_x_rel H 1 exc OK > * lda_x_rel H 1 vxc OK > * lda_x_rel Li 2 exc OK > * lda_x_rel Li 2 vxc OK > * lda_x_rel Li 1 exc OK > * lda_x_rel Li 1 vxc OK > * lda_x_sloc BrOH+ 2 exc OK > * lda_x_sloc BrOH+ 2 vxc OK > * lda_x_sloc BrOH+ 1 exc OK > * lda_x_sloc BrOH+ 1 vxc OK > * lda_x_sloc BrOH 2 exc OK > * lda_x_sloc BrOH 2 vxc OK > * lda_x_sloc BrOH 1 exc OK > * lda_x_sloc BrOH 1 vxc OK > * lda_x_sloc H 2 exc OK > * lda_x_sloc H 2 vxc OK > * lda_x_sloc H 1 exc OK > * lda_x_sloc H 1 vxc OK > * lda_x_sloc Li 2 exc OK > * lda_x_sloc Li 2 vxc OK > * lda_x_sloc Li 1 exc OK > * lda_x_sloc Li 1 vxc OK > * lda_x_yukawa BrOH+ 2 exc OK > * lda_x_yukawa BrOH+ 2 vxc OK > * lda_x_yukawa BrOH+ 1 exc OK > * lda_x_yukawa BrOH+ 1 vxc OK > * lda_x_yukawa BrOH 2 exc OK > * lda_x_yukawa BrOH 2 vxc OK > * lda_x_yukawa BrOH 1 exc OK > * lda_x_yukawa BrOH 1 vxc OK > * lda_x_yukawa H 2 exc OK > * lda_x_yukawa H 2 vxc OK > * lda_x_yukawa H 1 exc OK > * lda_x_yukawa H 1 vxc OK > * lda_x_yukawa Li 2 exc OK > * lda_x_yukawa Li 2 vxc OK > * lda_x_yukawa Li 1 exc OK > * lda_x_yukawa Li 1 vxc OK > * lda_xc_1d_ehwlrg_1 BrOH+ 2 exc OK > * lda_xc_1d_ehwlrg_1 BrOH+ 2 vxc OK > * lda_xc_1d_ehwlrg_1 BrOH+ 1 exc OK > * lda_xc_1d_ehwlrg_1 BrOH+ 1 vxc OK > * lda_xc_1d_ehwlrg_1 BrOH 2 exc OK > * lda_xc_1d_ehwlrg_1 BrOH 2 vxc OK > * lda_xc_1d_ehwlrg_1 BrOH 1 exc OK > * lda_xc_1d_ehwlrg_1 BrOH 1 vxc OK > * lda_xc_1d_ehwlrg_1 H 2 exc OK > * lda_xc_1d_ehwlrg_1 H 2 vxc OK > * lda_xc_1d_ehwlrg_1 H 1 exc OK > * lda_xc_1d_ehwlrg_1 H 1 vxc OK > * lda_xc_1d_ehwlrg_1 Li 2 exc OK > * lda_xc_1d_ehwlrg_1 Li 2 vxc OK > * lda_xc_1d_ehwlrg_1 Li 1 exc OK > * lda_xc_1d_ehwlrg_1 Li 1 vxc OK > * lda_xc_1d_ehwlrg_2 BrOH+ 2 exc OK > * lda_xc_1d_ehwlrg_2 BrOH+ 2 vxc OK > * lda_xc_1d_ehwlrg_2 BrOH+ 1 exc OK > * lda_xc_1d_ehwlrg_2 BrOH+ 1 vxc OK > * lda_xc_1d_ehwlrg_2 BrOH 2 exc OK > * lda_xc_1d_ehwlrg_2 BrOH 2 vxc OK > * lda_xc_1d_ehwlrg_2 BrOH 1 exc OK > * lda_xc_1d_ehwlrg_2 BrOH 1 vxc OK > * lda_xc_1d_ehwlrg_2 H 2 exc OK > * lda_xc_1d_ehwlrg_2 H 2 vxc OK > * lda_xc_1d_ehwlrg_2 H 1 exc OK > * lda_xc_1d_ehwlrg_2 H 1 vxc OK > * lda_xc_1d_ehwlrg_2 Li 2 exc OK > * lda_xc_1d_ehwlrg_2 Li 2 vxc OK > * lda_xc_1d_ehwlrg_2 Li 1 exc OK > * lda_xc_1d_ehwlrg_2 Li 1 vxc OK > * lda_xc_1d_ehwlrg_3 BrOH+ 2 exc OK > * lda_xc_1d_ehwlrg_3 BrOH+ 2 vxc OK > * lda_xc_1d_ehwlrg_3 BrOH+ 1 exc OK > * lda_xc_1d_ehwlrg_3 BrOH+ 1 vxc OK > * lda_xc_1d_ehwlrg_3 BrOH 2 exc OK > * lda_xc_1d_ehwlrg_3 BrOH 2 vxc OK > * lda_xc_1d_ehwlrg_3 BrOH 1 exc OK > * lda_xc_1d_ehwlrg_3 BrOH 1 vxc OK > * lda_xc_1d_ehwlrg_3 H 2 exc OK > * lda_xc_1d_ehwlrg_3 H 2 vxc OK > * lda_xc_1d_ehwlrg_3 H 1 exc OK > * lda_xc_1d_ehwlrg_3 H 1 vxc OK > * lda_xc_1d_ehwlrg_3 Li 2 exc OK > * lda_xc_1d_ehwlrg_3 Li 2 vxc OK > * lda_xc_1d_ehwlrg_3 Li 1 exc OK > * lda_xc_1d_ehwlrg_3 Li 1 vxc OK > * lda_xc_gdsmfb BrOH+ 2 exc OK > * lda_xc_gdsmfb BrOH+ 2 vxc OK > * lda_xc_gdsmfb BrOH+ 1 exc OK > * lda_xc_gdsmfb BrOH+ 1 vxc OK > * lda_xc_gdsmfb BrOH 2 exc OK > * lda_xc_gdsmfb BrOH 2 vxc OK > * lda_xc_gdsmfb BrOH 1 exc OK > * lda_xc_gdsmfb BrOH 1 vxc OK > * lda_xc_gdsmfb H 2 exc OK > * lda_xc_gdsmfb H 2 vxc OK > * lda_xc_gdsmfb H 1 exc OK > * lda_xc_gdsmfb H 1 vxc OK > * lda_xc_gdsmfb Li 2 exc OK > * lda_xc_gdsmfb Li 2 vxc OK > * lda_xc_gdsmfb Li 1 exc OK > * lda_xc_gdsmfb Li 1 vxc OK > * lda_xc_ksdt BrOH+ 2 exc OK > * lda_xc_ksdt BrOH+ 2 vxc OK > * lda_xc_ksdt BrOH+ 1 exc OK > * lda_xc_ksdt BrOH+ 1 vxc OK > * lda_xc_ksdt BrOH 2 exc OK > * lda_xc_ksdt BrOH 2 vxc OK > * lda_xc_ksdt BrOH 1 exc OK > * lda_xc_ksdt BrOH 1 vxc OK > * lda_xc_ksdt H 2 exc OK > * lda_xc_ksdt H 2 vxc OK > * lda_xc_ksdt H 1 exc OK > * lda_xc_ksdt H 1 vxc OK > * lda_xc_ksdt Li 2 exc OK > * lda_xc_ksdt Li 2 vxc OK > * lda_xc_ksdt Li 1 exc OK > * lda_xc_ksdt Li 1 vxc OK > * lda_xc_lp_a BrOH+ 2 exc OK > * lda_xc_lp_a BrOH+ 2 vxc OK > * lda_xc_lp_a BrOH+ 1 exc OK > * lda_xc_lp_a BrOH+ 1 vxc OK > * lda_xc_lp_a BrOH 2 exc OK > * lda_xc_lp_a BrOH 2 vxc OK > * lda_xc_lp_a BrOH 1 exc OK > * lda_xc_lp_a BrOH 1 vxc OK > * lda_xc_lp_a H 2 exc OK > * lda_xc_lp_a H 2 vxc OK > * lda_xc_lp_a H 1 exc OK > * lda_xc_lp_a H 1 vxc OK > * lda_xc_lp_a Li 2 exc OK > * lda_xc_lp_a Li 2 vxc OK > * lda_xc_lp_a Li 1 exc OK > * lda_xc_lp_a Li 1 vxc OK > * lda_xc_lp_b BrOH+ 2 exc OK > * lda_xc_lp_b BrOH+ 2 vxc OK > * lda_xc_lp_b BrOH+ 1 exc OK > * lda_xc_lp_b BrOH+ 1 vxc OK > * lda_xc_lp_b BrOH 2 exc OK > * lda_xc_lp_b BrOH 2 vxc OK > * lda_xc_lp_b BrOH 1 exc OK > * lda_xc_lp_b BrOH 1 vxc OK > * lda_xc_lp_b H 2 exc OK > * lda_xc_lp_b H 2 vxc OK > * lda_xc_lp_b H 1 exc OK > * lda_xc_lp_b H 1 vxc OK > * lda_xc_lp_b Li 2 exc OK > * lda_xc_lp_b Li 2 vxc OK > * lda_xc_lp_b Li 1 exc OK > * lda_xc_lp_b Li 1 vxc OK > * lda_xc_teter93 BrOH+ 2 exc OK > * lda_xc_teter93 BrOH+ 2 vxc OK > * lda_xc_teter93 BrOH+ 1 exc OK > * lda_xc_teter93 BrOH+ 1 vxc OK > * lda_xc_teter93 BrOH 2 exc OK > * lda_xc_teter93 BrOH 2 vxc OK > * lda_xc_teter93 BrOH 1 exc OK > * lda_xc_teter93 BrOH 1 vxc OK > * lda_xc_teter93 H 2 exc OK > * lda_xc_teter93 H 2 vxc OK > * lda_xc_teter93 H 1 exc OK > * lda_xc_teter93 H 1 vxc OK > * lda_xc_teter93 Li 2 exc OK > * lda_xc_teter93 Li 2 vxc OK > * lda_xc_teter93 Li 1 exc OK > * lda_xc_teter93 Li 1 vxc OK > * lda_xc_tih BrOH+ 2 exc OK > * lda_xc_tih BrOH+ 2 vxc OK > * lda_xc_tih BrOH+ 2 fxc OK > * lda_xc_tih BrOH+ 1 exc OK > * lda_xc_tih BrOH+ 1 vxc OK > * lda_xc_tih BrOH+ 1 fxc OK > * lda_xc_tih BrOH 2 exc OK > * lda_xc_tih BrOH 2 vxc OK > * lda_xc_tih BrOH 2 fxc OK > * lda_xc_tih BrOH 1 exc OK > * lda_xc_tih BrOH 1 vxc OK > * lda_xc_tih BrOH 1 fxc OK > * lda_xc_tih H 2 exc OK > * lda_xc_tih H 2 vxc OK > * lda_xc_tih H 2 fxc OK > * lda_xc_tih H 1 exc OK > * lda_xc_tih H 1 vxc OK > * lda_xc_tih H 1 fxc OK > * lda_xc_tih Li 2 exc OK > * lda_xc_tih Li 2 vxc OK > * lda_xc_tih Li 2 fxc OK > * lda_xc_tih Li 1 exc OK > * lda_xc_tih Li 1 vxc OK > * lda_xc_tih Li 1 fxc OK > * lda_xc_zlp BrOH+ 2 exc OK > * lda_xc_zlp BrOH+ 2 vxc OK > * lda_xc_zlp BrOH+ 1 exc OK > * lda_xc_zlp BrOH+ 1 vxc OK > * lda_xc_zlp BrOH 2 exc OK > * lda_xc_zlp BrOH 2 vxc OK > * lda_xc_zlp BrOH 1 exc OK > * lda_xc_zlp BrOH 1 vxc OK > * lda_xc_zlp H 2 exc OK > * lda_xc_zlp H 2 vxc OK > * lda_xc_zlp H 1 exc OK > * lda_xc_zlp H 1 vxc OK > * lda_xc_zlp Li 2 exc OK > * lda_xc_zlp Li 2 vxc OK > * lda_xc_zlp Li 1 exc OK > * lda_xc_zlp Li 1 vxc OK > * mgga_c_b88 BrOH+ 2 exc OK > * mgga_c_b88 BrOH+ 2 vxc OK > * mgga_c_b88 BrOH+ 1 exc OK > * mgga_c_b88 BrOH+ 1 vxc OK > * mgga_c_b88 BrOH 2 exc OK > * mgga_c_b88 BrOH 2 vxc OK > * mgga_c_b88 BrOH 1 exc OK > * mgga_c_b88 BrOH 1 vxc OK > * mgga_c_b88 H 1 exc OK > * mgga_c_b88 H 1 vxc OK > * mgga_c_b88 Li 2 exc OK > * mgga_c_b88 Li 2 vxc OK > * mgga_c_b88 Li 1 exc OK > * mgga_c_b88 Li 1 vxc OK > * mgga_c_b94 BrOH+ 2 exc OK > * mgga_c_b94 BrOH+ 2 vxc OK > * mgga_c_b94 BrOH+ 1 exc OK > * mgga_c_b94 BrOH+ 1 vxc OK > * mgga_c_b94 BrOH 2 exc OK > * mgga_c_b94 BrOH 2 vxc OK > * mgga_c_b94 BrOH 1 exc OK > * mgga_c_b94 BrOH 1 vxc OK > * mgga_c_b94 H 1 exc OK > * mgga_c_b94 H 1 vxc OK > * mgga_c_b94 Li 2 exc OK > * mgga_c_b94 Li 2 vxc OK > * mgga_c_b94 Li 1 exc OK > * mgga_c_b94 Li 1 vxc OK > * mgga_c_bc95 BrOH+ 2 exc OK > * mgga_c_bc95 BrOH+ 2 vxc OK > * mgga_c_bc95 BrOH+ 1 exc OK > * mgga_c_bc95 BrOH+ 1 vxc OK > * mgga_c_bc95 BrOH 2 exc OK > * mgga_c_bc95 BrOH 2 vxc OK > * mgga_c_bc95 BrOH 1 exc OK > * mgga_c_bc95 BrOH 1 vxc OK > * mgga_c_bc95 H 2 exc OK > * mgga_c_bc95 H 1 exc OK > * mgga_c_bc95 H 1 vxc OK > * mgga_c_bc95 Li 2 exc OK > * mgga_c_bc95 Li 2 vxc OK > * mgga_c_bc95 Li 1 exc OK > * mgga_c_bc95 Li 1 vxc OK > * mgga_c_cs BrOH+ 2 exc OK > * mgga_c_cs BrOH+ 2 vxc OK > * mgga_c_cs BrOH+ 1 exc OK > * mgga_c_cs BrOH+ 1 vxc OK > * mgga_c_cs BrOH 2 exc OK > * mgga_c_cs BrOH 2 vxc OK > * mgga_c_cs BrOH 1 exc OK > * mgga_c_cs BrOH 1 vxc OK > * mgga_c_cs H 2 exc OK > * mgga_c_cs H 2 vxc OK > * mgga_c_cs H 1 exc OK > * mgga_c_cs H 1 vxc OK > * mgga_c_cs Li 2 exc OK > * mgga_c_cs Li 2 vxc OK > * mgga_c_cs Li 1 exc OK > * mgga_c_cs Li 1 vxc OK > * mgga_c_dldf BrOH+ 2 exc OK > * mgga_c_dldf BrOH+ 2 vxc OK > * mgga_c_dldf BrOH+ 1 exc OK > * mgga_c_dldf BrOH+ 1 vxc OK > * mgga_c_dldf BrOH 2 exc OK > * mgga_c_dldf BrOH 2 vxc OK > * mgga_c_dldf BrOH 1 exc OK > * mgga_c_dldf BrOH 1 vxc OK > * mgga_c_dldf H 2 exc OK > * mgga_c_dldf H 1 exc OK > * mgga_c_dldf H 1 vxc OK > * mgga_c_dldf Li 2 exc OK > * mgga_c_dldf Li 2 vxc OK > * mgga_c_dldf Li 1 exc OK > * mgga_c_dldf Li 1 vxc OK > * mgga_c_hltapw BrOH+ 2 exc OK > * mgga_c_hltapw BrOH+ 2 vxc OK > * mgga_c_hltapw BrOH+ 1 exc OK > * mgga_c_hltapw BrOH+ 1 vxc OK > * mgga_c_hltapw BrOH 2 exc OK > * mgga_c_hltapw BrOH 2 vxc OK > * mgga_c_hltapw BrOH 1 exc OK > * mgga_c_hltapw BrOH 1 vxc OK > * mgga_c_hltapw H 2 exc OK > * mgga_c_hltapw H 2 vxc OK > * mgga_c_hltapw H 1 exc OK > * mgga_c_hltapw H 1 vxc OK > * mgga_c_hltapw Li 2 exc OK > * mgga_c_hltapw Li 2 vxc OK > * mgga_c_hltapw Li 1 exc OK > * mgga_c_hltapw Li 1 vxc OK > * mgga_c_kcis BrOH+ 2 exc OK > * mgga_c_kcis BrOH+ 2 vxc OK > * mgga_c_kcis BrOH+ 1 exc OK > * mgga_c_kcis BrOH+ 1 vxc OK > * mgga_c_kcis BrOH 2 exc OK > * mgga_c_kcis BrOH 2 vxc OK > * mgga_c_kcis BrOH 1 exc OK > * mgga_c_kcis BrOH 1 vxc OK > * mgga_c_kcis H 2 exc OK > * mgga_c_kcis H 1 exc OK > * mgga_c_kcis H 1 vxc OK > * mgga_c_kcis Li 2 exc OK > * mgga_c_kcis Li 2 vxc OK > * mgga_c_kcis Li 1 exc OK > * mgga_c_kcis Li 1 vxc OK > * mgga_c_kcisk BrOH+ 2 exc OK > * mgga_c_kcisk BrOH+ 2 vxc OK > * mgga_c_kcisk BrOH+ 1 exc OK > * mgga_c_kcisk BrOH+ 1 vxc OK > * mgga_c_kcisk BrOH 2 exc OK > * mgga_c_kcisk BrOH 2 vxc OK > * mgga_c_kcisk BrOH 1 exc OK > * mgga_c_kcisk BrOH 1 vxc OK > * mgga_c_kcisk H 2 exc OK > * mgga_c_kcisk H 2 vxc OK > * mgga_c_kcisk H 1 exc OK > * mgga_c_kcisk H 1 vxc OK > * mgga_c_kcisk Li 2 exc OK > * mgga_c_kcisk Li 2 vxc OK > * mgga_c_kcisk Li 1 exc OK > * mgga_c_kcisk Li 1 vxc OK > * mgga_c_m05 BrOH+ 2 exc OK > * mgga_c_m05 BrOH+ 2 vxc OK > * mgga_c_m05 BrOH+ 1 exc OK > * mgga_c_m05 BrOH+ 1 vxc OK > * mgga_c_m05 BrOH 2 exc OK > * mgga_c_m05 BrOH 2 vxc OK > * mgga_c_m05 BrOH 1 exc OK > * mgga_c_m05 BrOH 1 vxc OK > * mgga_c_m05 H 2 exc OK > * mgga_c_m05 H 1 exc OK > * mgga_c_m05 H 1 vxc OK > * mgga_c_m05 Li 2 exc OK > * mgga_c_m05 Li 2 vxc OK > * mgga_c_m05 Li 1 exc OK > * mgga_c_m05 Li 1 vxc OK > * mgga_c_m05_2x BrOH+ 2 exc OK > * mgga_c_m05_2x BrOH+ 2 vxc OK > * mgga_c_m05_2x BrOH+ 1 exc OK > * mgga_c_m05_2x BrOH+ 1 vxc OK > * mgga_c_m05_2x BrOH 2 exc OK > * mgga_c_m05_2x BrOH 2 vxc OK > * mgga_c_m05_2x BrOH 1 exc OK > * mgga_c_m05_2x BrOH 1 vxc OK > * mgga_c_m05_2x H 2 exc OK > * mgga_c_m05_2x H 1 exc OK > * mgga_c_m05_2x H 1 vxc OK > * mgga_c_m05_2x Li 2 exc OK > * mgga_c_m05_2x Li 2 vxc OK > * mgga_c_m05_2x Li 1 exc OK > * mgga_c_m05_2x Li 1 vxc OK > * mgga_c_m06 BrOH+ 2 exc OK > * mgga_c_m06 BrOH+ 2 vxc OK > * mgga_c_m06 BrOH+ 1 exc OK > * mgga_c_m06 BrOH+ 1 vxc OK > * mgga_c_m06 BrOH 2 exc OK > * mgga_c_m06 BrOH 2 vxc OK > * mgga_c_m06 BrOH 1 exc OK > * mgga_c_m06 BrOH 1 vxc OK > * mgga_c_m06 H 2 exc OK > * mgga_c_m06 H 1 exc OK > * mgga_c_m06 H 1 vxc OK > * mgga_c_m06 Li 2 exc OK > * mgga_c_m06 Li 2 vxc OK > * mgga_c_m06 Li 1 exc OK > * mgga_c_m06 Li 1 vxc OK > * mgga_c_m06_2x BrOH+ 2 exc OK > * mgga_c_m06_2x BrOH+ 2 vxc OK > * mgga_c_m06_2x BrOH+ 1 exc OK > * mgga_c_m06_2x BrOH+ 1 vxc OK > * mgga_c_m06_2x BrOH 2 exc OK > * mgga_c_m06_2x BrOH 2 vxc OK > * mgga_c_m06_2x BrOH 1 exc OK > * mgga_c_m06_2x BrOH 1 vxc OK > * mgga_c_m06_2x H 2 exc OK > * mgga_c_m06_2x H 1 exc OK > * mgga_c_m06_2x H 1 vxc OK > * mgga_c_m06_2x Li 2 exc OK > * mgga_c_m06_2x Li 2 vxc OK > * mgga_c_m06_2x Li 1 exc OK > * mgga_c_m06_2x Li 1 vxc OK > * mgga_c_m06_hf BrOH+ 2 exc OK > * mgga_c_m06_hf BrOH+ 2 vxc OK > * mgga_c_m06_hf BrOH+ 1 exc OK > * mgga_c_m06_hf BrOH+ 1 vxc OK > * mgga_c_m06_hf BrOH 2 exc OK > * mgga_c_m06_hf BrOH 2 vxc OK > * mgga_c_m06_hf BrOH 1 exc OK > * mgga_c_m06_hf BrOH 1 vxc OK > * mgga_c_m06_hf H 2 exc OK > * mgga_c_m06_hf H 1 exc OK > * mgga_c_m06_hf H 1 vxc OK > * mgga_c_m06_hf Li 2 exc OK > * mgga_c_m06_hf Li 2 vxc OK > * mgga_c_m06_hf Li 1 exc OK > * mgga_c_m06_hf Li 1 vxc OK > * mgga_c_m06_l BrOH+ 2 exc OK > * mgga_c_m06_l BrOH+ 2 vxc OK > * mgga_c_m06_l BrOH+ 2 fxc OK > * mgga_c_m06_l BrOH+ 1 exc OK > * mgga_c_m06_l BrOH+ 1 vxc OK > * mgga_c_m06_l BrOH+ 1 fxc OK > * mgga_c_m06_l BrOH 2 exc OK > * mgga_c_m06_l BrOH 2 vxc OK > * mgga_c_m06_l BrOH 2 fxc OK > * mgga_c_m06_l BrOH 1 exc OK > * mgga_c_m06_l BrOH 1 vxc OK > * mgga_c_m06_l BrOH 1 fxc OK > * mgga_c_m06_l H 2 exc OK > * mgga_c_m06_l H 1 exc OK > * mgga_c_m06_l H 1 vxc OK > * mgga_c_m06_l H 1 fxc OK > * mgga_c_m06_l Li 2 exc OK > * mgga_c_m06_l Li 2 vxc OK > * mgga_c_m06_l Li 1 exc OK > * mgga_c_m06_l Li 1 vxc OK > * mgga_c_m06_sx BrOH+ 2 exc OK > * mgga_c_m06_sx BrOH+ 2 vxc OK > * mgga_c_m06_sx BrOH+ 1 exc OK > * mgga_c_m06_sx BrOH+ 1 vxc OK > * mgga_c_m06_sx BrOH 2 exc OK > * mgga_c_m06_sx BrOH 2 vxc OK > * mgga_c_m06_sx BrOH 1 exc OK > * mgga_c_m06_sx BrOH 1 vxc OK > * mgga_c_m06_sx H 1 exc OK > * mgga_c_m06_sx H 1 vxc OK > * mgga_c_m06_sx Li 2 exc OK > * mgga_c_m06_sx Li 2 vxc OK > * mgga_c_m06_sx Li 1 exc OK > * mgga_c_m06_sx Li 1 vxc OK > * mgga_c_m08_hx BrOH+ 2 exc OK > * mgga_c_m08_hx BrOH+ 2 vxc OK > * mgga_c_m08_hx BrOH+ 1 exc OK > * mgga_c_m08_hx BrOH+ 1 vxc OK > * mgga_c_m08_hx BrOH 2 exc OK > * mgga_c_m08_hx BrOH 2 vxc OK > * mgga_c_m08_hx BrOH 1 exc OK > * mgga_c_m08_hx BrOH 1 vxc OK > * mgga_c_m08_hx H 2 exc OK > * mgga_c_m08_hx H 1 exc OK > * mgga_c_m08_hx H 1 vxc OK > * mgga_c_m08_hx Li 2 exc OK > * mgga_c_m08_hx Li 2 vxc OK > * mgga_c_m08_hx Li 1 exc OK > * mgga_c_m08_hx Li 1 vxc OK > * mgga_c_m08_so BrOH+ 2 exc OK > * mgga_c_m08_so BrOH+ 2 vxc OK > * mgga_c_m08_so BrOH+ 1 exc OK > * mgga_c_m08_so BrOH+ 1 vxc OK > * mgga_c_m08_so BrOH 2 exc OK > * mgga_c_m08_so BrOH 2 vxc OK > * mgga_c_m08_so BrOH 1 exc OK > * mgga_c_m08_so BrOH 1 vxc OK > * mgga_c_m08_so H 2 exc OK > * mgga_c_m08_so H 1 exc OK > * mgga_c_m08_so H 1 vxc OK > * mgga_c_m08_so Li 2 exc OK > * mgga_c_m08_so Li 2 vxc OK > * mgga_c_m08_so Li 1 exc OK > * mgga_c_m08_so Li 1 vxc OK > * mgga_c_m11 BrOH+ 2 exc OK > * mgga_c_m11 BrOH+ 2 vxc OK > * mgga_c_m11 BrOH+ 1 exc OK > * mgga_c_m11 BrOH+ 1 vxc OK > * mgga_c_m11 BrOH 2 exc OK > * mgga_c_m11 BrOH 2 vxc OK > * mgga_c_m11 BrOH 1 exc OK > * mgga_c_m11 BrOH 1 vxc OK > * mgga_c_m11 H 2 exc OK > * mgga_c_m11 H 1 exc OK > * mgga_c_m11 H 1 vxc OK > * mgga_c_m11 Li 2 exc OK > * mgga_c_m11 Li 2 vxc OK > * mgga_c_m11 Li 1 exc OK > * mgga_c_m11 Li 1 vxc OK > * mgga_c_m11_l BrOH+ 2 exc OK > * mgga_c_m11_l BrOH+ 2 vxc OK > * mgga_c_m11_l BrOH+ 1 exc OK > * mgga_c_m11_l BrOH+ 1 vxc OK > * mgga_c_m11_l BrOH 2 exc OK > * mgga_c_m11_l BrOH 2 vxc OK > * mgga_c_m11_l BrOH 1 exc OK > * mgga_c_m11_l BrOH 1 vxc OK > * mgga_c_m11_l H 2 exc OK > * mgga_c_m11_l H 1 exc OK > * mgga_c_m11_l H 1 vxc OK > * mgga_c_m11_l Li 2 exc OK > * mgga_c_m11_l Li 2 vxc OK > * mgga_c_m11_l Li 1 exc OK > * mgga_c_m11_l Li 1 vxc OK > * mgga_c_mn12_l BrOH+ 2 exc OK > * mgga_c_mn12_l BrOH+ 2 vxc OK > * mgga_c_mn12_l BrOH+ 1 exc OK > * mgga_c_mn12_l BrOH+ 1 vxc OK > * mgga_c_mn12_l BrOH 2 exc OK > * mgga_c_mn12_l BrOH 2 vxc OK > * mgga_c_mn12_l BrOH 1 exc OK > * mgga_c_mn12_l BrOH 1 vxc OK > * mgga_c_mn12_l H 2 exc OK > * mgga_c_mn12_l H 1 exc OK > * mgga_c_mn12_l H 1 vxc OK > * mgga_c_mn12_l Li 2 exc OK > * mgga_c_mn12_l Li 2 vxc OK > * mgga_c_mn12_l Li 1 exc OK > * mgga_c_mn12_l Li 1 vxc OK > * mgga_c_mn12_sx BrOH+ 2 exc OK > * mgga_c_mn12_sx BrOH+ 2 vxc OK > * mgga_c_mn12_sx BrOH+ 1 exc OK > * mgga_c_mn12_sx BrOH+ 1 vxc OK > * mgga_c_mn12_sx BrOH 2 exc OK > * mgga_c_mn12_sx BrOH 2 vxc OK > * mgga_c_mn12_sx BrOH 1 exc OK > * mgga_c_mn12_sx BrOH 1 vxc OK > * mgga_c_mn12_sx H 2 exc OK > * mgga_c_mn12_sx H 1 exc OK > * mgga_c_mn12_sx H 1 vxc OK > * mgga_c_mn12_sx Li 2 exc OK > * mgga_c_mn12_sx Li 2 vxc OK > * mgga_c_mn12_sx Li 1 exc OK > * mgga_c_mn12_sx Li 1 vxc OK > * mgga_c_mn15 BrOH+ 2 exc OK > * mgga_c_mn15 BrOH+ 2 vxc OK > * mgga_c_mn15 BrOH+ 1 exc OK > * mgga_c_mn15 BrOH+ 1 vxc OK > * mgga_c_mn15 BrOH 2 exc OK > * mgga_c_mn15 BrOH 2 vxc OK > * mgga_c_mn15 BrOH 1 exc OK > * mgga_c_mn15 BrOH 1 vxc OK > * mgga_c_mn15 H 2 exc OK > * mgga_c_mn15 H 1 exc OK > * mgga_c_mn15 H 1 vxc OK > * mgga_c_mn15 Li 2 exc OK > * mgga_c_mn15 Li 2 vxc OK > * mgga_c_mn15 Li 1 exc OK > * mgga_c_mn15 Li 1 vxc OK > * mgga_c_mn15_l BrOH+ 2 exc OK > * mgga_c_mn15_l BrOH+ 2 vxc OK > * mgga_c_mn15_l BrOH+ 1 exc OK > * mgga_c_mn15_l BrOH+ 1 vxc OK > * mgga_c_mn15_l BrOH 2 exc OK > * mgga_c_mn15_l BrOH 2 vxc OK > * mgga_c_mn15_l BrOH 1 exc OK > * mgga_c_mn15_l BrOH 1 vxc OK > * mgga_c_mn15_l H 2 exc OK > * mgga_c_mn15_l H 1 exc OK > * mgga_c_mn15_l H 1 vxc OK > * mgga_c_mn15_l Li 2 exc OK > * mgga_c_mn15_l Li 2 vxc OK > * mgga_c_mn15_l Li 1 exc OK > * mgga_c_mn15_l Li 1 vxc OK > * mgga_c_pkzb BrOH+ 2 exc OK > * mgga_c_pkzb BrOH+ 2 vxc OK > * mgga_c_pkzb BrOH+ 1 exc OK > * mgga_c_pkzb BrOH+ 1 vxc OK > * mgga_c_pkzb BrOH 2 exc OK > * mgga_c_pkzb BrOH 2 vxc OK > * mgga_c_pkzb BrOH 1 exc OK > * mgga_c_pkzb BrOH 1 vxc OK > * mgga_c_pkzb H 1 exc OK > * mgga_c_pkzb H 1 vxc OK > * mgga_c_pkzb Li 2 exc OK > * mgga_c_pkzb Li 2 vxc OK > * mgga_c_pkzb Li 1 exc OK > * mgga_c_pkzb Li 1 vxc OK > * mgga_c_r2scan BrOH+ 2 exc OK > * mgga_c_r2scan BrOH+ 2 vxc OK > * mgga_c_r2scan BrOH+ 1 exc OK > * mgga_c_r2scan BrOH+ 1 vxc OK > * mgga_c_r2scan BrOH 2 exc OK > * mgga_c_r2scan BrOH 2 vxc OK > * mgga_c_r2scan BrOH 1 exc OK > * mgga_c_r2scan BrOH 1 vxc OK > * mgga_c_r2scan H 2 exc OK > * mgga_c_r2scan H 1 exc OK > * mgga_c_r2scan H 1 vxc OK > * mgga_c_r2scan Li 2 exc OK > * mgga_c_r2scan Li 2 vxc OK > * mgga_c_r2scan Li 1 exc OK > * mgga_c_r2scan Li 1 vxc OK > * mgga_c_r2scan01 BrOH+ 2 exc OK > * mgga_c_r2scan01 BrOH+ 2 vxc OK > * mgga_c_r2scan01 BrOH+ 1 exc OK > * mgga_c_r2scan01 BrOH+ 1 vxc OK > * mgga_c_r2scan01 BrOH 2 exc OK > * mgga_c_r2scan01 BrOH 2 vxc OK > * mgga_c_r2scan01 BrOH 1 exc OK > * mgga_c_r2scan01 BrOH 1 vxc OK > * mgga_c_r2scan01 H 2 exc OK > * mgga_c_r2scan01 H 2 vxc >3 8 -8.4081264792e-03 -8.2419614676e-03 1.647795e-04 > >4 8 -1.6192590627e-02 -1.6128232213e-02 6.333289e-05 > FAIL > * mgga_c_r2scan01 H 1 exc OK > * mgga_c_r2scan01 H 1 vxc OK > * mgga_c_r2scan01 Li 2 exc OK > * mgga_c_r2scan01 Li 2 vxc OK > * mgga_c_r2scan01 Li 1 exc OK > * mgga_c_r2scan01 Li 1 vxc OK > * mgga_c_r2scanl BrOH+ 2 exc OK > * mgga_c_r2scanl BrOH+ 2 vxc OK > * mgga_c_r2scanl BrOH+ 1 exc OK > * mgga_c_r2scanl BrOH+ 1 vxc OK > * mgga_c_r2scanl BrOH 2 exc OK > * mgga_c_r2scanl BrOH 2 vxc OK > * mgga_c_r2scanl BrOH 1 exc OK > * mgga_c_r2scanl BrOH 1 vxc OK > * mgga_c_r2scanl H 2 exc OK > * mgga_c_r2scanl H 1 exc OK > * mgga_c_r2scanl H 1 vxc OK > * mgga_c_r2scanl Li 2 exc OK > * mgga_c_r2scanl Li 2 vxc OK > * mgga_c_r2scanl Li 1 exc OK > * mgga_c_r2scanl Li 1 vxc OK > * mgga_c_revm06 BrOH+ 2 exc OK > * mgga_c_revm06 BrOH+ 2 vxc OK > * mgga_c_revm06 BrOH+ 1 exc OK > * mgga_c_revm06 BrOH+ 1 vxc OK > * mgga_c_revm06 BrOH 2 exc OK > * mgga_c_revm06 BrOH 2 vxc OK > * mgga_c_revm06 BrOH 1 exc OK > * mgga_c_revm06 BrOH 1 vxc OK > * mgga_c_revm06 H 2 exc OK > * mgga_c_revm06 H 2 vxc >2 4 -7.7290302699e+16 -7.7286434410e+16 5.004883e-05 > >2 8 2.5604260900e+06 2.5602979437e+06 5.004881e-05 > FAIL > * mgga_c_revm06 H 1 exc OK > * mgga_c_revm06 H 1 vxc OK > * mgga_c_revm06 Li 2 exc OK > * mgga_c_revm06 Li 2 vxc OK > * mgga_c_revm06 Li 1 exc OK > * mgga_c_revm06 Li 1 vxc OK > * mgga_c_revm06_l BrOH+ 2 exc OK > * mgga_c_revm06_l BrOH+ 2 vxc OK > * mgga_c_revm06_l BrOH+ 1 exc OK > * mgga_c_revm06_l BrOH+ 1 vxc OK > * mgga_c_revm06_l BrOH 2 exc OK > * mgga_c_revm06_l BrOH 2 vxc OK > * mgga_c_revm06_l BrOH 1 exc OK > * mgga_c_revm06_l BrOH 1 vxc OK > * mgga_c_revm06_l H 2 exc OK > * mgga_c_revm06_l H 2 vxc >2 4 -1.7755760344e+17 -1.7754871689e+17 5.004883e-05 > >2 8 4.8156950578e+06 4.8154540378e+06 5.004882e-05 > FAIL > * mgga_c_revm06_l H 1 exc OK > * mgga_c_revm06_l H 1 vxc OK > * mgga_c_revm06_l Li 2 exc OK > * mgga_c_revm06_l Li 2 vxc OK > * mgga_c_revm06_l Li 1 exc OK > * mgga_c_revm06_l Li 1 vxc OK > * mgga_c_revm11 BrOH+ 2 exc OK > * mgga_c_revm11 BrOH+ 2 vxc OK > * mgga_c_revm11 BrOH+ 1 exc OK > * mgga_c_revm11 BrOH+ 1 vxc OK > * mgga_c_revm11 BrOH 2 exc OK > * mgga_c_revm11 BrOH 2 vxc OK > * mgga_c_revm11 BrOH 1 exc OK > * mgga_c_revm11 BrOH 1 vxc OK > * mgga_c_revm11 H 2 exc OK > * mgga_c_revm11 H 1 exc OK > * mgga_c_revm11 H 1 vxc OK > * mgga_c_revm11 Li 2 exc OK > * mgga_c_revm11 Li 2 vxc OK > * mgga_c_revm11 Li 1 exc OK > * mgga_c_revm11 Li 1 vxc OK > * mgga_c_revscan BrOH+ 2 exc OK > * mgga_c_revscan BrOH+ 2 vxc OK > * mgga_c_revscan BrOH+ 1 exc OK > * mgga_c_revscan BrOH+ 1 vxc OK > * mgga_c_revscan BrOH 2 exc OK > * mgga_c_revscan BrOH 2 vxc OK > * mgga_c_revscan BrOH 1 exc OK > * mgga_c_revscan BrOH 1 vxc OK > * mgga_c_revscan H 2 exc OK > * mgga_c_revscan H 1 exc OK > * mgga_c_revscan H 1 vxc OK > * mgga_c_revscan Li 2 exc OK > * mgga_c_revscan Li 2 vxc OK > * mgga_c_revscan Li 1 exc OK > * mgga_c_revscan Li 1 vxc OK > * mgga_c_revtm BrOH+ 2 exc OK > * mgga_c_revtm BrOH+ 2 vxc OK > * mgga_c_revtm BrOH+ 1 exc OK > * mgga_c_revtm BrOH+ 1 vxc OK > * mgga_c_revtm BrOH 2 exc OK > * mgga_c_revtm BrOH 2 vxc OK > * mgga_c_revtm BrOH 1 exc OK > * mgga_c_revtm BrOH 1 vxc OK > * mgga_c_revtm H 2 exc OK > * mgga_c_revtm H 1 exc OK > * mgga_c_revtm H 1 vxc >5 0 -4.0151938982e-03 -4.2528034978e-03 2.366034e-04 > >5 1 3.7218800739e-01 4.4350887534e-01 4.940799e-02 > >5 3 0.0000000000e+00 -4.6732111206e-04 4.671028e-04 > FAIL > * mgga_c_revtm Li 2 exc OK > * mgga_c_revtm Li 2 vxc OK > * mgga_c_revtm Li 1 exc OK > * mgga_c_revtm Li 1 vxc OK > * mgga_c_revtpss BrOH+ 2 exc OK > * mgga_c_revtpss BrOH+ 2 vxc OK > * mgga_c_revtpss BrOH+ 1 exc OK > * mgga_c_revtpss BrOH+ 1 vxc OK > * mgga_c_revtpss BrOH 2 exc OK > * mgga_c_revtpss BrOH 2 vxc OK > * mgga_c_revtpss BrOH 1 exc OK > * mgga_c_revtpss BrOH 1 vxc OK > * mgga_c_revtpss H 2 exc OK > * mgga_c_revtpss H 1 exc OK > * mgga_c_revtpss H 1 vxc >5 0 -6.3701137299e-03 -5.7589366217e-03 6.073085e-04 > >5 1 5.9034701912e-01 4.0689617411e-01 1.153527e-01 > >5 3 0.0000000000e+00 1.2020388331e-03 1.200596e-03 > FAIL > * mgga_c_revtpss Li 2 exc OK > * mgga_c_revtpss Li 2 vxc OK > * mgga_c_revtpss Li 1 exc OK > * mgga_c_revtpss Li 1 vxc OK > * mgga_c_rmggac BrOH+ 2 exc OK > * mgga_c_rmggac BrOH+ 2 vxc OK > * mgga_c_rmggac BrOH+ 1 exc OK > * mgga_c_rmggac BrOH+ 1 vxc OK > * mgga_c_rmggac BrOH 2 exc OK > * mgga_c_rmggac BrOH 2 vxc OK > * mgga_c_rmggac BrOH 1 exc OK > * mgga_c_rmggac BrOH 1 vxc OK > * mgga_c_rmggac H 2 exc OK > * mgga_c_rmggac H 2 vxc OK > * mgga_c_rmggac H 1 exc OK > * mgga_c_rmggac H 1 vxc OK > * mgga_c_rmggac Li 2 exc OK > * mgga_c_rmggac Li 2 vxc OK > * mgga_c_rmggac Li 1 exc OK > * mgga_c_rmggac Li 1 vxc OK > * mgga_c_rregtm BrOH+ 2 exc OK > * mgga_c_rregtm BrOH+ 2 vxc OK > * mgga_c_rregtm BrOH+ 1 exc OK > * mgga_c_rregtm BrOH+ 1 vxc OK > * mgga_c_rregtm BrOH 2 exc OK > * mgga_c_rregtm BrOH 2 vxc OK > * mgga_c_rregtm BrOH 1 exc OK > * mgga_c_rregtm BrOH 1 vxc OK > * mgga_c_rregtm H 2 exc OK > * mgga_c_rregtm H 2 vxc >3 8 -8.4308658791e-03 -8.2642514816e-03 1.652214e-04 > >4 8 -1.6337058514e-02 -1.6272125904e-02 6.388885e-05 > FAIL > * mgga_c_rregtm H 1 exc OK > * mgga_c_rregtm H 1 vxc OK > * mgga_c_rregtm Li 2 exc OK > * mgga_c_rregtm Li 2 vxc OK > * mgga_c_rregtm Li 1 exc OK > * mgga_c_rregtm Li 1 vxc OK > * mgga_c_rscan BrOH+ 2 exc OK > * mgga_c_rscan BrOH+ 2 vxc OK > * mgga_c_rscan BrOH+ 1 exc OK > * mgga_c_rscan BrOH+ 1 vxc OK > * mgga_c_rscan BrOH 2 exc OK > * mgga_c_rscan BrOH 2 vxc OK > * mgga_c_rscan BrOH 1 exc OK > * mgga_c_rscan BrOH 1 vxc OK > * mgga_c_rscan H 2 exc OK > * mgga_c_rscan H 2 vxc OK > * mgga_c_rscan H 1 exc OK > * mgga_c_rscan H 1 vxc OK > * mgga_c_rscan Li 2 exc OK > * mgga_c_rscan Li 2 vxc OK > * mgga_c_rscan Li 1 exc OK > * mgga_c_rscan Li 1 vxc OK > * mgga_c_scan BrOH+ 2 exc OK > * mgga_c_scan BrOH+ 2 vxc OK > * mgga_c_scan BrOH+ 1 exc OK > * mgga_c_scan BrOH+ 1 vxc OK > * mgga_c_scan BrOH 2 exc OK > * mgga_c_scan BrOH 2 vxc OK > * mgga_c_scan BrOH 1 exc OK > * mgga_c_scan BrOH 1 vxc OK > * mgga_c_scan H 2 exc OK > * mgga_c_scan H 1 exc OK > * mgga_c_scan H 1 vxc OK > * mgga_c_scan Li 2 exc OK > * mgga_c_scan Li 2 vxc OK > * mgga_c_scan Li 1 exc OK > * mgga_c_scan Li 1 vxc OK > * mgga_c_scan_rvv10 BrOH+ 2 exc OK > * mgga_c_scan_rvv10 BrOH+ 2 vxc OK > * mgga_c_scan_rvv10 BrOH+ 1 exc OK > * mgga_c_scan_rvv10 BrOH+ 1 vxc OK > * mgga_c_scan_rvv10 BrOH 2 exc OK > * mgga_c_scan_rvv10 BrOH 2 vxc OK > * mgga_c_scan_rvv10 BrOH 1 exc OK > * mgga_c_scan_rvv10 BrOH 1 vxc OK > * mgga_c_scan_rvv10 H 2 exc OK > * mgga_c_scan_rvv10 H 1 exc OK > * mgga_c_scan_rvv10 H 1 vxc OK > * mgga_c_scan_rvv10 Li 2 exc OK > * mgga_c_scan_rvv10 Li 2 vxc OK > * mgga_c_scan_rvv10 Li 1 exc OK > * mgga_c_scan_rvv10 Li 1 vxc OK > * mgga_c_scanl BrOH+ 2 exc OK > * mgga_c_scanl BrOH+ 2 vxc OK > * mgga_c_scanl BrOH+ 1 exc OK > * mgga_c_scanl BrOH+ 1 vxc OK > * mgga_c_scanl BrOH 2 exc OK > * mgga_c_scanl BrOH 2 vxc OK > * mgga_c_scanl BrOH 1 exc OK > * mgga_c_scanl BrOH 1 vxc OK > * mgga_c_scanl H 2 exc OK > * mgga_c_scanl H 1 exc OK > * mgga_c_scanl H 1 vxc OK > * mgga_c_scanl Li 2 exc OK > * mgga_c_scanl Li 2 vxc OK > * mgga_c_scanl Li 1 exc OK > * mgga_c_scanl Li 1 vxc OK > * mgga_c_tm BrOH+ 2 exc OK > * mgga_c_tm BrOH+ 2 vxc OK > * mgga_c_tm BrOH+ 1 exc OK > * mgga_c_tm BrOH+ 1 vxc OK > * mgga_c_tm BrOH 2 exc OK > * mgga_c_tm BrOH 2 vxc OK > * mgga_c_tm BrOH 1 exc OK > * mgga_c_tm BrOH 1 vxc OK > * mgga_c_tm Li 2 exc OK > * mgga_c_tm Li 2 vxc OK > * mgga_c_tm Li 1 exc OK > * mgga_c_tm Li 1 vxc OK > * mgga_c_tpss BrOH+ 2 exc OK > * mgga_c_tpss BrOH+ 2 vxc OK > * mgga_c_tpss BrOH+ 1 exc OK > * mgga_c_tpss BrOH+ 1 vxc OK > * mgga_c_tpss BrOH 2 exc OK > * mgga_c_tpss BrOH 2 vxc OK > * mgga_c_tpss BrOH 1 exc OK > * mgga_c_tpss BrOH 1 vxc OK > * mgga_c_tpss H 2 exc OK > * mgga_c_tpss H 1 exc OK > * mgga_c_tpss H 1 vxc >5 0 -4.0581079680e-03 -3.7086383387e-03 3.480572e-04 > >5 1 3.7384800065e-01 2.6895124007e-01 7.635252e-02 > >5 3 0.0000000000e+00 6.8732297027e-04 6.868509e-04 > FAIL > * mgga_c_tpss Li 2 exc OK > * mgga_c_tpss Li 2 vxc OK > * mgga_c_tpss Li 1 exc OK > * mgga_c_tpss Li 1 vxc OK > * mgga_c_tpssloc BrOH+ 2 exc OK > * mgga_c_tpssloc BrOH+ 2 vxc OK > * mgga_c_tpssloc BrOH+ 1 exc OK > * mgga_c_tpssloc BrOH+ 1 vxc OK > * mgga_c_tpssloc BrOH 2 exc OK > * mgga_c_tpssloc BrOH 2 vxc OK > * mgga_c_tpssloc BrOH 1 exc OK > * mgga_c_tpssloc BrOH 1 vxc OK > * mgga_c_tpssloc H 2 exc OK > * mgga_c_tpssloc H 1 exc OK > * mgga_c_tpssloc H 1 vxc >5 1 5.7595990644e-02 5.0162353397e-02 7.028806e-03 > FAIL > * mgga_c_tpssloc Li 2 exc OK > * mgga_c_tpssloc Li 2 vxc OK > * mgga_c_tpssloc Li 1 exc OK > * mgga_c_tpssloc Li 1 vxc OK > * mgga_c_vsxc BrOH+ 2 exc OK > * mgga_c_vsxc BrOH+ 2 vxc OK > * mgga_c_vsxc BrOH+ 1 exc OK > * mgga_c_vsxc BrOH+ 1 vxc OK > * mgga_c_vsxc BrOH 2 exc OK > * mgga_c_vsxc BrOH 2 vxc OK > * mgga_c_vsxc BrOH 1 exc OK > * mgga_c_vsxc BrOH 1 vxc OK > * mgga_c_vsxc H 2 exc OK > * mgga_c_vsxc H 1 exc OK > * mgga_c_vsxc H 1 vxc OK > * mgga_c_vsxc Li 2 exc OK > * mgga_c_vsxc Li 2 vxc OK > * mgga_c_vsxc Li 1 exc OK > * mgga_c_vsxc Li 1 vxc OK > * mgga_k_csk1 BrOH+ 2 exc OK > * mgga_k_csk1 BrOH+ 2 vxc OK > * mgga_k_csk1 BrOH+ 1 exc OK > * mgga_k_csk1 BrOH+ 1 vxc OK > * mgga_k_csk1 BrOH 2 exc OK > * mgga_k_csk1 BrOH 2 vxc OK > * mgga_k_csk1 BrOH 1 exc OK > * mgga_k_csk1 BrOH 1 vxc OK > * mgga_k_csk1 H 2 exc OK > * mgga_k_csk1 H 2 vxc OK > * mgga_k_csk1 H 1 exc OK > * mgga_k_csk1 H 1 vxc OK > * mgga_k_csk1 Li 2 exc OK > * mgga_k_csk1 Li 2 vxc OK > * mgga_k_csk1 Li 1 exc OK > * mgga_k_csk1 Li 1 vxc OK > * mgga_k_csk4 BrOH+ 2 exc OK > * mgga_k_csk4 BrOH+ 2 vxc OK > * mgga_k_csk4 BrOH+ 1 exc OK > * mgga_k_csk4 BrOH+ 1 vxc OK > * mgga_k_csk4 BrOH 2 exc OK > * mgga_k_csk4 BrOH 2 vxc OK > * mgga_k_csk4 BrOH 1 exc OK > * mgga_k_csk4 BrOH 1 vxc OK > * mgga_k_csk4 H 2 exc OK > * mgga_k_csk4 H 2 vxc OK > * mgga_k_csk4 H 1 exc OK > * mgga_k_csk4 H 1 vxc OK > * mgga_k_csk4 Li 2 exc OK > * mgga_k_csk4 Li 2 vxc OK > * mgga_k_csk4 Li 1 exc OK > * mgga_k_csk4 Li 1 vxc OK > * mgga_k_csk_loc1 BrOH+ 2 exc OK > * mgga_k_csk_loc1 BrOH+ 2 vxc OK > * mgga_k_csk_loc1 BrOH+ 1 exc OK > * mgga_k_csk_loc1 BrOH+ 1 vxc OK > * mgga_k_csk_loc1 BrOH 2 exc OK > * mgga_k_csk_loc1 BrOH 2 vxc OK > * mgga_k_csk_loc1 BrOH 1 exc OK > * mgga_k_csk_loc1 BrOH 1 vxc OK > * mgga_k_csk_loc1 H 2 exc OK > * mgga_k_csk_loc1 H 2 vxc OK > * mgga_k_csk_loc1 H 1 exc OK > * mgga_k_csk_loc1 H 1 vxc OK > * mgga_k_csk_loc1 Li 2 exc OK > * mgga_k_csk_loc1 Li 2 vxc OK > * mgga_k_csk_loc1 Li 1 exc OK > * mgga_k_csk_loc1 Li 1 vxc OK > * mgga_k_csk_loc4 BrOH+ 2 exc OK > * mgga_k_csk_loc4 BrOH+ 2 vxc OK > * mgga_k_csk_loc4 BrOH+ 1 exc OK > * mgga_k_csk_loc4 BrOH+ 1 vxc OK > * mgga_k_csk_loc4 BrOH 2 exc OK > * mgga_k_csk_loc4 BrOH 2 vxc OK > * mgga_k_csk_loc4 BrOH 1 exc OK > * mgga_k_csk_loc4 BrOH 1 vxc OK > * mgga_k_csk_loc4 H 2 exc OK > * mgga_k_csk_loc4 H 2 vxc OK > * mgga_k_csk_loc4 H 1 exc OK > * mgga_k_csk_loc4 H 1 vxc OK > * mgga_k_csk_loc4 Li 2 exc OK > * mgga_k_csk_loc4 Li 2 vxc OK > * mgga_k_csk_loc4 Li 1 exc OK > * mgga_k_csk_loc4 Li 1 vxc OK > * mgga_k_gea2 BrOH+ 2 exc OK > * mgga_k_gea2 BrOH+ 2 vxc OK > * mgga_k_gea2 BrOH+ 1 exc OK > * mgga_k_gea2 BrOH+ 1 vxc OK > * mgga_k_gea2 BrOH 2 exc OK > * mgga_k_gea2 BrOH 2 vxc OK > * mgga_k_gea2 BrOH 1 exc OK > * mgga_k_gea2 BrOH 1 vxc OK > * mgga_k_gea2 H 2 exc OK > * mgga_k_gea2 H 2 vxc OK > * mgga_k_gea2 H 1 exc OK > * mgga_k_gea2 H 1 vxc OK > * mgga_k_gea2 Li 2 exc OK > * mgga_k_gea2 Li 2 vxc OK > * mgga_k_gea2 Li 1 exc OK > * mgga_k_gea2 Li 1 vxc OK > * mgga_k_gea4 BrOH+ 2 exc OK > * mgga_k_gea4 BrOH+ 2 vxc OK > * mgga_k_gea4 BrOH+ 1 exc OK > * mgga_k_gea4 BrOH+ 1 vxc OK > * mgga_k_gea4 BrOH 2 exc OK > * mgga_k_gea4 BrOH 2 vxc OK > * mgga_k_gea4 BrOH 1 exc OK > * mgga_k_gea4 BrOH 1 vxc OK > * mgga_k_gea4 H 2 exc OK > * mgga_k_gea4 H 2 vxc OK > * mgga_k_gea4 H 1 exc OK > * mgga_k_gea4 H 1 vxc OK > * mgga_k_gea4 Li 2 exc OK > * mgga_k_gea4 Li 2 vxc OK > * mgga_k_gea4 Li 1 exc OK > * mgga_k_gea4 Li 1 vxc OK > * mgga_k_l04 BrOH+ 2 exc OK > * mgga_k_l04 BrOH+ 2 vxc OK > * mgga_k_l04 BrOH+ 1 exc OK > * mgga_k_l04 BrOH+ 1 vxc OK > * mgga_k_l04 BrOH 2 exc OK > * mgga_k_l04 BrOH 2 vxc OK > * mgga_k_l04 BrOH 1 exc OK > * mgga_k_l04 BrOH 1 vxc OK > * mgga_k_l04 H 2 exc OK > * mgga_k_l04 H 2 vxc OK > * mgga_k_l04 H 1 exc OK > * mgga_k_l04 H 1 vxc OK > * mgga_k_l04 Li 2 exc OK > * mgga_k_l04 Li 2 vxc OK > * mgga_k_l04 Li 1 exc OK > * mgga_k_l04 Li 1 vxc OK > * mgga_k_l06 BrOH+ 2 exc OK > * mgga_k_l06 BrOH+ 2 vxc OK > * mgga_k_l06 BrOH+ 1 exc OK > * mgga_k_l06 BrOH+ 1 vxc OK > * mgga_k_l06 BrOH 2 exc OK > * mgga_k_l06 BrOH 2 vxc OK > * mgga_k_l06 BrOH 1 exc OK > * mgga_k_l06 BrOH 1 vxc OK > * mgga_k_l06 H 2 exc OK > * mgga_k_l06 H 2 vxc OK > * mgga_k_l06 H 1 exc OK > * mgga_k_l06 H 1 vxc OK > * mgga_k_l06 Li 2 exc OK > * mgga_k_l06 Li 2 vxc OK > * mgga_k_l06 Li 1 exc OK > * mgga_k_l06 Li 1 vxc OK > * mgga_k_pc07 BrOH+ 2 exc OK > * mgga_k_pc07 BrOH+ 2 vxc OK > * mgga_k_pc07 BrOH+ 1 exc OK > * mgga_k_pc07 BrOH+ 1 vxc OK > * mgga_k_pc07 BrOH 2 exc OK > * mgga_k_pc07 BrOH 2 vxc OK > * mgga_k_pc07 BrOH 1 exc OK > * mgga_k_pc07 BrOH 1 vxc OK > * mgga_k_pc07 H 2 exc OK > * mgga_k_pc07 H 2 vxc OK > * mgga_k_pc07 H 1 exc OK > * mgga_k_pc07 H 1 vxc OK > * mgga_k_pc07 Li 2 exc OK > * mgga_k_pc07 Li 2 vxc OK > * mgga_k_pc07 Li 1 exc OK > * mgga_k_pc07 Li 1 vxc OK > * mgga_k_pc07_opt BrOH+ 2 exc OK > * mgga_k_pc07_opt BrOH+ 2 vxc OK > * mgga_k_pc07_opt BrOH+ 1 exc OK > * mgga_k_pc07_opt BrOH+ 1 vxc OK > * mgga_k_pc07_opt BrOH 2 exc OK > * mgga_k_pc07_opt BrOH 2 vxc OK > * mgga_k_pc07_opt BrOH 1 exc OK > * mgga_k_pc07_opt BrOH 1 vxc OK > * mgga_k_pc07_opt H 2 exc OK > * mgga_k_pc07_opt H 2 vxc OK > * mgga_k_pc07_opt H 1 exc OK > * mgga_k_pc07_opt H 1 vxc OK > * mgga_k_pc07_opt Li 2 exc OK > * mgga_k_pc07_opt Li 2 vxc OK > * mgga_k_pc07_opt Li 1 exc OK > * mgga_k_pc07_opt Li 1 vxc OK > * mgga_k_pgsl025 BrOH+ 2 exc OK > * mgga_k_pgsl025 BrOH+ 2 vxc OK > * mgga_k_pgsl025 BrOH+ 1 exc OK > * mgga_k_pgsl025 BrOH+ 1 vxc OK > * mgga_k_pgsl025 BrOH 2 exc OK > * mgga_k_pgsl025 BrOH 2 vxc OK > * mgga_k_pgsl025 BrOH 1 exc OK > * mgga_k_pgsl025 BrOH 1 vxc OK > * mgga_k_pgsl025 H 2 exc OK > * mgga_k_pgsl025 H 2 vxc OK > * mgga_k_pgsl025 H 1 exc OK > * mgga_k_pgsl025 H 1 vxc OK > * mgga_k_pgsl025 Li 2 exc OK > * mgga_k_pgsl025 Li 2 vxc OK > * mgga_k_pgsl025 Li 1 exc OK > * mgga_k_pgsl025 Li 1 vxc OK > * mgga_k_rda BrOH+ 2 exc OK > * mgga_k_rda BrOH+ 2 vxc OK > * mgga_k_rda BrOH+ 1 exc OK > * mgga_k_rda BrOH+ 1 vxc OK > * mgga_k_rda BrOH 2 exc OK > * mgga_k_rda BrOH 2 vxc OK > * mgga_k_rda BrOH 1 exc OK > * mgga_k_rda BrOH 1 vxc OK > * mgga_k_rda H 2 exc OK > * mgga_k_rda H 2 vxc OK > * mgga_k_rda H 1 exc OK > * mgga_k_rda H 1 vxc OK > * mgga_k_rda Li 2 exc OK > * mgga_k_rda Li 2 vxc OK > * mgga_k_rda Li 1 exc OK > * mgga_k_rda Li 1 vxc OK > * mgga_x_2d_js17 BrOH+ 2 exc OK > * mgga_x_2d_js17 BrOH+ 2 vxc OK > * mgga_x_2d_js17 BrOH+ 1 exc OK > * mgga_x_2d_js17 BrOH+ 1 vxc OK > * mgga_x_2d_js17 BrOH 2 exc OK > * mgga_x_2d_js17 BrOH 2 vxc OK > * mgga_x_2d_js17 BrOH 1 exc OK > * mgga_x_2d_js17 BrOH 1 vxc OK > * mgga_x_2d_js17 H 2 exc OK > * mgga_x_2d_js17 H 2 vxc OK > * mgga_x_2d_js17 H 1 exc OK > * mgga_x_2d_js17 H 1 vxc OK > * mgga_x_2d_js17 Li 2 exc OK > * mgga_x_2d_js17 Li 2 vxc OK > * mgga_x_2d_js17 Li 1 exc OK > * mgga_x_2d_js17 Li 1 vxc OK > * mgga_x_2d_prhg07_prp10 BrOH+ 2 exc OK > * mgga_x_2d_prhg07_prp10 BrOH+ 1 exc OK > * mgga_x_2d_prhg07_prp10 BrOH 2 exc OK > * mgga_x_2d_prhg07_prp10 BrOH 1 exc OK > * mgga_x_2d_prhg07_prp10 H 2 exc OK > * mgga_x_2d_prhg07_prp10 H 1 exc OK > * mgga_x_2d_prhg07_prp10 Li 2 exc OK > * mgga_x_2d_prhg07_prp10 Li 1 exc OK > * mgga_x_b00 BrOH+ 2 exc OK > * mgga_x_b00 BrOH+ 2 vxc OK > * mgga_x_b00 BrOH+ 1 exc OK > * mgga_x_b00 BrOH+ 1 vxc OK > * mgga_x_b00 BrOH 2 exc OK > * mgga_x_b00 BrOH 2 vxc OK > * mgga_x_b00 BrOH 1 exc OK > * mgga_x_b00 BrOH 1 vxc OK > * mgga_x_b00 H 2 exc OK > * mgga_x_b00 H 2 vxc OK > * mgga_x_b00 H 1 exc OK > * mgga_x_b00 H 1 vxc OK > * mgga_x_b00 Li 2 exc OK > * mgga_x_b00 Li 2 vxc OK > * mgga_x_b00 Li 1 exc OK > * mgga_x_b00 Li 1 vxc OK > * mgga_x_bj06 BrOH+ 2 exc OK > * mgga_x_bj06 BrOH+ 2 vxc OK > * mgga_x_bj06 BrOH+ 1 exc OK > * mgga_x_bj06 BrOH+ 1 vxc OK > * mgga_x_bj06 BrOH 2 exc OK > * mgga_x_bj06 BrOH 2 vxc OK > * mgga_x_bj06 BrOH 1 exc OK > * mgga_x_bj06 BrOH 1 vxc OK > * mgga_x_bj06 H 2 exc OK > * mgga_x_bj06 H 2 vxc OK > * mgga_x_bj06 H 1 exc OK > * mgga_x_bj06 H 1 vxc OK > * mgga_x_bj06 Li 2 exc OK > * mgga_x_bj06 Li 2 vxc OK > * mgga_x_bj06 Li 1 exc OK > * mgga_x_bj06 Li 1 vxc OK > * mgga_x_bloc BrOH+ 2 exc OK > * mgga_x_bloc BrOH+ 2 vxc OK > * mgga_x_bloc BrOH+ 1 exc OK > * mgga_x_bloc BrOH+ 1 vxc OK > * mgga_x_bloc BrOH 2 exc OK > * mgga_x_bloc BrOH 2 vxc OK > * mgga_x_bloc BrOH 1 exc OK > * mgga_x_bloc BrOH 1 vxc OK > * mgga_x_bloc H 2 exc OK > * mgga_x_bloc H 2 vxc OK > * mgga_x_bloc H 1 exc OK > * mgga_x_bloc H 1 vxc OK > * mgga_x_bloc Li 2 exc OK > * mgga_x_bloc Li 2 vxc OK > * mgga_x_bloc Li 1 exc OK > * mgga_x_bloc Li 1 vxc OK > * mgga_x_br89 BrOH+ 2 exc OK > * mgga_x_br89 BrOH+ 2 vxc OK > * mgga_x_br89 BrOH+ 1 exc OK > * mgga_x_br89 BrOH+ 1 vxc OK > * mgga_x_br89 BrOH 2 exc OK > * mgga_x_br89 BrOH 2 vxc OK > * mgga_x_br89 BrOH 1 exc OK > * mgga_x_br89 BrOH 1 vxc OK > * mgga_x_br89 H 2 exc OK > * mgga_x_br89 H 2 vxc OK > * mgga_x_br89 H 1 exc OK > * mgga_x_br89 H 1 vxc OK > * mgga_x_br89 Li 2 exc OK > * mgga_x_br89 Li 2 vxc OK > * mgga_x_br89 Li 1 exc OK > * mgga_x_br89 Li 1 vxc OK > * mgga_x_br89_1 BrOH+ 2 exc OK > * mgga_x_br89_1 BrOH+ 2 vxc OK > * mgga_x_br89_1 BrOH+ 1 exc OK > * mgga_x_br89_1 BrOH+ 1 vxc OK > * mgga_x_br89_1 BrOH 2 exc OK > * mgga_x_br89_1 BrOH 2 vxc OK > * mgga_x_br89_1 BrOH 1 exc OK > * mgga_x_br89_1 BrOH 1 vxc OK > * mgga_x_br89_1 H 2 exc OK > * mgga_x_br89_1 H 2 vxc OK > * mgga_x_br89_1 H 1 exc OK > * mgga_x_br89_1 H 1 vxc OK > * mgga_x_br89_1 Li 2 exc OK > * mgga_x_br89_1 Li 2 vxc OK > * mgga_x_br89_1 Li 1 exc OK > * mgga_x_br89_1 Li 1 vxc OK > * mgga_x_br89_explicit BrOH+ 2 exc OK > * mgga_x_br89_explicit BrOH+ 2 vxc OK > * mgga_x_br89_explicit BrOH+ 1 exc OK > * mgga_x_br89_explicit BrOH+ 1 vxc OK > * mgga_x_br89_explicit BrOH 2 exc OK > * mgga_x_br89_explicit BrOH 2 vxc OK > * mgga_x_br89_explicit BrOH 1 exc OK > * mgga_x_br89_explicit BrOH 1 vxc OK > * mgga_x_br89_explicit H 2 exc OK > * mgga_x_br89_explicit H 2 vxc OK > * mgga_x_br89_explicit H 1 exc OK > * mgga_x_br89_explicit H 1 vxc OK > * mgga_x_br89_explicit Li 2 exc OK > * mgga_x_br89_explicit Li 2 vxc OK > * mgga_x_br89_explicit Li 1 exc OK > * mgga_x_br89_explicit Li 1 vxc OK > * mgga_x_br89_explicit_1 H 2 exc OK > * mgga_x_br89_explicit_1 H 2 vxc OK > * mgga_x_br89_explicit_1 H 1 exc OK > * mgga_x_br89_explicit_1 H 1 vxc OK > * mgga_x_edmgga BrOH+ 2 vxc OK > * mgga_x_edmgga BrOH+ 1 exc OK > * mgga_x_edmgga BrOH+ 1 vxc OK > * mgga_x_edmgga H 2 vxc OK > * mgga_x_edmgga H 1 vxc OK > * mgga_x_edmgga Li 1 exc OK > * mgga_x_edmgga Li 1 vxc OK > * mgga_x_gdme_0 BrOH+ 2 exc OK > * mgga_x_gdme_0 BrOH+ 2 vxc OK > * mgga_x_gdme_0 BrOH+ 1 exc OK > * mgga_x_gdme_0 BrOH+ 1 vxc OK > * mgga_x_gdme_0 BrOH 2 exc OK > * mgga_x_gdme_0 BrOH 2 vxc OK > * mgga_x_gdme_0 BrOH 1 exc OK > * mgga_x_gdme_0 BrOH 1 vxc OK > * mgga_x_gdme_0 H 2 exc OK > * mgga_x_gdme_0 H 2 vxc OK > * mgga_x_gdme_0 H 1 exc OK > * mgga_x_gdme_0 H 1 vxc OK > * mgga_x_gdme_0 Li 2 exc OK > * mgga_x_gdme_0 Li 2 vxc OK > * mgga_x_gdme_0 Li 1 exc OK > * mgga_x_gdme_0 Li 1 vxc OK > * mgga_x_gdme_kos BrOH+ 2 exc OK > * mgga_x_gdme_kos BrOH+ 2 vxc OK > * mgga_x_gdme_kos BrOH+ 1 exc OK > * mgga_x_gdme_kos BrOH+ 1 vxc OK > * mgga_x_gdme_kos BrOH 2 exc OK > * mgga_x_gdme_kos BrOH 2 vxc OK > * mgga_x_gdme_kos BrOH 1 exc OK > * mgga_x_gdme_kos BrOH 1 vxc OK > * mgga_x_gdme_kos H 2 exc OK > * mgga_x_gdme_kos H 2 vxc OK > * mgga_x_gdme_kos H 1 exc OK > * mgga_x_gdme_kos H 1 vxc OK > * mgga_x_gdme_kos Li 2 exc OK > * mgga_x_gdme_kos Li 2 vxc OK > * mgga_x_gdme_kos Li 1 exc OK > * mgga_x_gdme_kos Li 1 vxc OK > * mgga_x_gdme_nv BrOH+ 2 exc OK > * mgga_x_gdme_nv BrOH+ 2 vxc OK > * mgga_x_gdme_nv BrOH+ 1 exc OK > * mgga_x_gdme_nv BrOH+ 1 vxc OK > * mgga_x_gdme_nv BrOH 2 exc OK > * mgga_x_gdme_nv BrOH 2 vxc OK > * mgga_x_gdme_nv BrOH 1 exc OK > * mgga_x_gdme_nv BrOH 1 vxc OK > * mgga_x_gdme_nv H 2 exc OK > * mgga_x_gdme_nv H 2 vxc OK > * mgga_x_gdme_nv H 1 exc OK > * mgga_x_gdme_nv H 1 vxc OK > * mgga_x_gdme_nv Li 2 exc OK > * mgga_x_gdme_nv Li 2 vxc OK > * mgga_x_gdme_nv Li 1 exc OK > * mgga_x_gdme_nv Li 1 vxc OK > * mgga_x_gdme_vt BrOH+ 2 exc OK > * mgga_x_gdme_vt BrOH+ 2 vxc OK > * mgga_x_gdme_vt BrOH+ 1 exc OK > * mgga_x_gdme_vt BrOH+ 1 vxc OK > * mgga_x_gdme_vt BrOH 2 exc OK > * mgga_x_gdme_vt BrOH 2 vxc OK > * mgga_x_gdme_vt BrOH 1 exc OK > * mgga_x_gdme_vt BrOH 1 vxc OK > * mgga_x_gdme_vt H 2 exc OK > * mgga_x_gdme_vt H 2 vxc OK > * mgga_x_gdme_vt H 1 exc OK > * mgga_x_gdme_vt H 1 vxc OK > * mgga_x_gdme_vt Li 2 exc OK > * mgga_x_gdme_vt Li 2 vxc OK > * mgga_x_gdme_vt Li 1 exc OK > * mgga_x_gdme_vt Li 1 vxc OK > * mgga_x_gvt4 BrOH+ 2 exc OK > * mgga_x_gvt4 BrOH+ 2 vxc OK > * mgga_x_gvt4 BrOH+ 1 exc OK > * mgga_x_gvt4 BrOH+ 1 vxc OK > * mgga_x_gvt4 BrOH 2 exc OK > * mgga_x_gvt4 BrOH 2 vxc OK > * mgga_x_gvt4 BrOH 1 exc OK > * mgga_x_gvt4 BrOH 1 vxc OK > * mgga_x_gvt4 H 2 exc OK > * mgga_x_gvt4 H 2 vxc OK > * mgga_x_gvt4 H 1 exc OK > * mgga_x_gvt4 H 1 vxc OK > * mgga_x_gvt4 Li 2 exc OK > * mgga_x_gvt4 Li 2 vxc OK > * mgga_x_gvt4 Li 1 exc OK > * mgga_x_gvt4 Li 1 vxc OK > * mgga_x_gx BrOH+ 2 exc OK > * mgga_x_gx BrOH+ 2 vxc OK > * mgga_x_gx BrOH+ 1 exc OK > * mgga_x_gx BrOH+ 1 vxc OK > * mgga_x_gx BrOH 2 exc OK > * mgga_x_gx BrOH 2 vxc OK > * mgga_x_gx BrOH 1 exc OK > * mgga_x_gx BrOH 1 vxc OK > * mgga_x_gx H 2 exc OK > * mgga_x_gx H 2 vxc OK > * mgga_x_gx H 1 exc OK > * mgga_x_gx H 1 vxc OK > * mgga_x_gx Li 2 exc OK > * mgga_x_gx Li 2 vxc OK > * mgga_x_gx Li 1 exc OK > * mgga_x_gx Li 1 vxc OK > * mgga_x_hlta BrOH+ 2 exc OK > * mgga_x_hlta BrOH+ 2 vxc OK > * mgga_x_hlta BrOH+ 1 exc OK > * mgga_x_hlta BrOH+ 1 vxc OK > * mgga_x_hlta BrOH 2 exc OK > * mgga_x_hlta BrOH 2 vxc OK > * mgga_x_hlta BrOH 1 exc OK > * mgga_x_hlta BrOH 1 vxc OK > * mgga_x_hlta H 2 exc OK > * mgga_x_hlta H 2 vxc OK > * mgga_x_hlta H 1 exc OK > * mgga_x_hlta H 1 vxc OK > * mgga_x_hlta Li 2 exc OK > * mgga_x_hlta Li 2 vxc OK > * mgga_x_hlta Li 1 exc OK > * mgga_x_hlta Li 1 vxc OK > * mgga_x_jk BrOH+ 2 exc OK > * mgga_x_jk BrOH+ 2 vxc OK > * mgga_x_jk BrOH+ 1 exc OK > * mgga_x_jk BrOH+ 1 vxc OK > * mgga_x_jk BrOH 2 exc OK > * mgga_x_jk BrOH 2 vxc OK > * mgga_x_jk BrOH 1 exc OK > * mgga_x_jk BrOH 1 vxc OK > * mgga_x_jk H 2 exc OK > * mgga_x_jk H 2 vxc OK > * mgga_x_jk H 1 exc OK > * mgga_x_jk H 1 vxc OK > * mgga_x_jk Li 2 exc OK > * mgga_x_jk Li 2 vxc OK > * mgga_x_jk Li 1 exc OK > * mgga_x_jk Li 1 vxc OK > * mgga_x_lta BrOH+ 2 exc OK > * mgga_x_lta BrOH+ 2 vxc OK > * mgga_x_lta BrOH+ 1 exc OK > * mgga_x_lta BrOH+ 1 vxc OK > * mgga_x_lta BrOH 2 exc OK > * mgga_x_lta BrOH 2 vxc OK > * mgga_x_lta BrOH 1 exc OK > * mgga_x_lta BrOH 1 vxc OK > * mgga_x_lta H 2 exc OK > * mgga_x_lta H 2 vxc OK > * mgga_x_lta H 1 exc OK > * mgga_x_lta H 1 vxc OK > * mgga_x_lta Li 2 exc OK > * mgga_x_lta Li 2 vxc OK > * mgga_x_lta Li 1 exc OK > * mgga_x_lta Li 1 vxc OK > * mgga_x_m06_l BrOH+ 2 exc OK > * mgga_x_m06_l BrOH+ 2 vxc OK > * mgga_x_m06_l BrOH+ 1 exc OK > * mgga_x_m06_l BrOH+ 1 vxc OK > * mgga_x_m06_l BrOH 2 exc OK > * mgga_x_m06_l BrOH 2 vxc OK > * mgga_x_m06_l BrOH 1 exc OK > * mgga_x_m06_l BrOH 1 vxc OK > * mgga_x_m06_l H 2 exc OK > * mgga_x_m06_l H 2 vxc OK > * mgga_x_m06_l H 1 exc OK > * mgga_x_m06_l H 1 vxc OK > * mgga_x_m06_l Li 2 exc OK > * mgga_x_m06_l Li 2 vxc OK > * mgga_x_m06_l Li 1 exc OK > * mgga_x_m06_l Li 1 vxc OK > * mgga_x_m11_l BrOH+ 2 exc OK > * mgga_x_m11_l BrOH+ 2 vxc OK > * mgga_x_m11_l BrOH+ 1 exc OK > * mgga_x_m11_l BrOH+ 1 vxc OK > * mgga_x_m11_l BrOH 2 exc OK > * mgga_x_m11_l BrOH 2 vxc OK > * mgga_x_m11_l BrOH 1 exc OK > * mgga_x_m11_l BrOH 1 vxc OK > * mgga_x_m11_l H 2 exc OK > * mgga_x_m11_l H 1 exc OK > * mgga_x_m11_l H 1 vxc OK > * mgga_x_m11_l Li 2 exc OK > * mgga_x_m11_l Li 2 vxc OK > * mgga_x_m11_l Li 1 exc OK > * mgga_x_m11_l Li 1 vxc OK > * mgga_x_mbeef BrOH+ 2 exc OK > * mgga_x_mbeef BrOH+ 2 vxc OK > * mgga_x_mbeef BrOH+ 1 exc OK > * mgga_x_mbeef BrOH+ 1 vxc OK > * mgga_x_mbeef BrOH 2 exc OK > * mgga_x_mbeef BrOH 2 vxc OK > * mgga_x_mbeef BrOH 1 exc OK > * mgga_x_mbeef BrOH 1 vxc OK > * mgga_x_mbeef H 2 exc OK > * mgga_x_mbeef H 2 vxc OK > * mgga_x_mbeef H 1 exc OK > * mgga_x_mbeef H 1 vxc OK > * mgga_x_mbeef Li 2 exc OK > * mgga_x_mbeef Li 2 vxc OK > * mgga_x_mbeef Li 1 exc OK > * mgga_x_mbeef Li 1 vxc OK > * mgga_x_mbeefvdw BrOH+ 2 exc OK > * mgga_x_mbeefvdw BrOH+ 2 vxc OK > * mgga_x_mbeefvdw BrOH+ 1 exc OK > * mgga_x_mbeefvdw BrOH+ 1 vxc OK > * mgga_x_mbeefvdw BrOH 2 exc OK > * mgga_x_mbeefvdw BrOH 2 vxc OK > * mgga_x_mbeefvdw BrOH 1 exc OK > * mgga_x_mbeefvdw BrOH 1 vxc OK > * mgga_x_mbeefvdw H 2 exc OK > * mgga_x_mbeefvdw H 2 vxc OK > * mgga_x_mbeefvdw H 1 exc OK > * mgga_x_mbeefvdw H 1 vxc OK > * mgga_x_mbeefvdw Li 2 exc OK > * mgga_x_mbeefvdw Li 1 exc OK > * mgga_x_mbr BrOH+ 2 exc OK > * mgga_x_mbr BrOH+ 2 vxc OK > * mgga_x_mbr BrOH+ 1 exc OK > * mgga_x_mbr BrOH+ 1 vxc OK > * mgga_x_mbr BrOH 2 exc OK > * mgga_x_mbr BrOH 2 vxc OK > * mgga_x_mbr BrOH 1 exc OK > * mgga_x_mbr BrOH 1 vxc OK > * mgga_x_mbr H 2 exc OK > * mgga_x_mbr H 2 vxc OK > * mgga_x_mbr H 1 exc OK > * mgga_x_mbr H 1 vxc OK > * mgga_x_mbr Li 2 exc OK > * mgga_x_mbr Li 2 vxc OK > * mgga_x_mbr Li 1 exc OK > * mgga_x_mbr Li 1 vxc OK > * mgga_x_mbrxc_bg BrOH+ 2 exc OK > * mgga_x_mbrxc_bg BrOH+ 2 vxc OK > * mgga_x_mbrxc_bg BrOH+ 1 exc OK > * mgga_x_mbrxc_bg BrOH+ 1 vxc OK > * mgga_x_mbrxc_bg BrOH 2 exc OK > * mgga_x_mbrxc_bg BrOH 2 vxc OK > * mgga_x_mbrxc_bg BrOH 1 exc OK > * mgga_x_mbrxc_bg BrOH 1 vxc OK > * mgga_x_mbrxc_bg H 2 exc OK > * mgga_x_mbrxc_bg H 2 vxc OK > * mgga_x_mbrxc_bg H 1 exc OK > * mgga_x_mbrxc_bg H 1 vxc OK > * mgga_x_mbrxc_bg Li 2 exc OK > * mgga_x_mbrxc_bg Li 2 vxc OK > * mgga_x_mbrxc_bg Li 1 exc OK > * mgga_x_mbrxc_bg Li 1 vxc OK > * mgga_x_mbrxh_bg BrOH+ 2 exc OK > * mgga_x_mbrxh_bg BrOH+ 2 vxc OK > * mgga_x_mbrxh_bg BrOH+ 1 exc OK > * mgga_x_mbrxh_bg BrOH+ 1 vxc OK > * mgga_x_mbrxh_bg BrOH 2 exc OK > * mgga_x_mbrxh_bg BrOH 2 vxc OK > * mgga_x_mbrxh_bg BrOH 1 exc OK > * mgga_x_mbrxh_bg BrOH 1 vxc OK > * mgga_x_mbrxh_bg H 2 exc OK > * mgga_x_mbrxh_bg H 2 vxc OK > * mgga_x_mbrxh_bg H 1 exc OK > * mgga_x_mbrxh_bg H 1 vxc OK > * mgga_x_mbrxh_bg Li 2 exc OK > * mgga_x_mbrxh_bg Li 2 vxc OK > * mgga_x_mbrxh_bg Li 1 exc OK > * mgga_x_mbrxh_bg Li 1 vxc OK > * mgga_x_mcml BrOH+ 2 exc OK > * mgga_x_mcml BrOH+ 2 vxc OK > * mgga_x_mcml BrOH+ 1 exc OK > * mgga_x_mcml BrOH+ 1 vxc OK > * mgga_x_mcml BrOH 2 exc OK > * mgga_x_mcml BrOH 2 vxc OK > * mgga_x_mcml BrOH 1 exc OK > * mgga_x_mcml BrOH 1 vxc OK > * mgga_x_mcml H 2 exc OK > * mgga_x_mcml H 2 vxc OK > * mgga_x_mcml H 1 exc OK > * mgga_x_mcml H 1 vxc OK > * mgga_x_mcml Li 2 exc OK > * mgga_x_mcml Li 2 vxc OK > * mgga_x_mcml Li 1 exc OK > * mgga_x_mcml Li 1 vxc OK > * mgga_x_mggac BrOH+ 2 exc OK > * mgga_x_mggac BrOH+ 2 vxc OK > * mgga_x_mggac BrOH+ 1 exc OK > * mgga_x_mggac BrOH+ 1 vxc OK > * mgga_x_mggac BrOH 2 exc OK > * mgga_x_mggac BrOH 2 vxc OK > * mgga_x_mggac BrOH 1 exc OK > * mgga_x_mggac BrOH 1 vxc OK > * mgga_x_mggac H 2 exc OK > * mgga_x_mggac H 2 vxc OK > * mgga_x_mggac H 1 exc OK > * mgga_x_mggac H 1 vxc OK > * mgga_x_mggac Li 2 exc OK > * mgga_x_mk00 BrOH+ 2 exc OK > * mgga_x_mk00 BrOH+ 2 vxc OK > * mgga_x_mk00 BrOH+ 1 exc OK > * mgga_x_mk00 BrOH+ 1 vxc OK > * mgga_x_mk00 BrOH 2 exc OK > * mgga_x_mk00 BrOH 2 vxc OK > * mgga_x_mk00 BrOH 1 exc OK > * mgga_x_mk00 BrOH 1 vxc OK > * mgga_x_mk00 H 2 exc OK > * mgga_x_mk00 H 2 vxc OK > * mgga_x_mk00 H 1 exc OK > * mgga_x_mk00 H 1 vxc OK > * mgga_x_mk00 Li 2 exc OK > * mgga_x_mk00 Li 2 vxc OK > * mgga_x_mk00 Li 1 exc OK > * mgga_x_mk00 Li 1 vxc OK > * mgga_x_mk00b BrOH+ 2 exc OK > * mgga_x_mk00b BrOH+ 2 vxc OK > * mgga_x_mk00b BrOH+ 1 exc OK > * mgga_x_mk00b BrOH+ 1 vxc OK > * mgga_x_mk00b BrOH 2 exc OK > * mgga_x_mk00b BrOH 2 vxc OK > * mgga_x_mk00b BrOH 1 exc OK > * mgga_x_mk00b BrOH 1 vxc OK > * mgga_x_mk00b H 2 exc OK > * mgga_x_mk00b H 2 vxc OK > * mgga_x_mk00b H 1 exc OK > * mgga_x_mk00b H 1 vxc OK > * mgga_x_mk00b Li 2 exc OK > * mgga_x_mk00b Li 2 vxc OK > * mgga_x_mk00b Li 1 exc OK > * mgga_x_mk00b Li 1 vxc OK > * mgga_x_mn12_l BrOH+ 2 exc OK > * mgga_x_mn12_l BrOH+ 2 vxc OK > * mgga_x_mn12_l BrOH+ 1 exc OK > * mgga_x_mn12_l BrOH+ 1 vxc OK > * mgga_x_mn12_l BrOH 2 exc OK > * mgga_x_mn12_l BrOH 2 vxc OK > * mgga_x_mn12_l BrOH 1 exc OK > * mgga_x_mn12_l BrOH 1 vxc OK > * mgga_x_mn12_l H 2 exc OK > * mgga_x_mn12_l H 1 exc OK > * mgga_x_mn12_l H 1 vxc OK > * mgga_x_mn12_l Li 2 exc OK > * mgga_x_mn12_l Li 2 vxc OK > * mgga_x_mn12_l Li 1 exc OK > * mgga_x_mn12_l Li 1 vxc OK > * mgga_x_mn15_l BrOH+ 2 exc OK > * mgga_x_mn15_l BrOH+ 2 vxc OK > * mgga_x_mn15_l BrOH+ 1 exc OK > * mgga_x_mn15_l BrOH+ 1 vxc OK > * mgga_x_mn15_l BrOH 2 exc OK > * mgga_x_mn15_l BrOH 2 vxc OK > * mgga_x_mn15_l BrOH 1 exc OK > * mgga_x_mn15_l BrOH 1 vxc OK > * mgga_x_mn15_l H 2 exc OK > * mgga_x_mn15_l H 1 exc OK > * mgga_x_mn15_l H 1 vxc OK > * mgga_x_mn15_l Li 2 exc OK > * mgga_x_mn15_l Li 2 vxc OK > * mgga_x_mn15_l Li 1 exc OK > * mgga_x_mn15_l Li 1 vxc OK > * mgga_x_modtpss BrOH+ 2 exc OK > * mgga_x_modtpss BrOH+ 2 vxc OK > * mgga_x_modtpss BrOH+ 1 exc OK > * mgga_x_modtpss BrOH+ 1 vxc OK > * mgga_x_modtpss BrOH 2 exc OK > * mgga_x_modtpss BrOH 2 vxc OK > * mgga_x_modtpss BrOH 1 exc OK > * mgga_x_modtpss BrOH 1 vxc OK > * mgga_x_modtpss H 2 exc OK > * mgga_x_modtpss H 2 vxc OK > * mgga_x_modtpss H 1 exc OK > * mgga_x_modtpss H 1 vxc OK > * mgga_x_modtpss Li 2 exc OK > * mgga_x_modtpss Li 2 vxc OK > * mgga_x_modtpss Li 1 exc OK > * mgga_x_modtpss Li 1 vxc OK > * mgga_x_ms0 BrOH+ 2 exc OK > * mgga_x_ms0 BrOH+ 2 vxc OK > * mgga_x_ms0 BrOH+ 1 exc OK > * mgga_x_ms0 BrOH+ 1 vxc OK > * mgga_x_ms0 BrOH 2 exc OK > * mgga_x_ms0 BrOH 2 vxc OK > * mgga_x_ms0 BrOH 1 exc OK > * mgga_x_ms0 BrOH 1 vxc OK > * mgga_x_ms0 H 2 exc OK > * mgga_x_ms0 H 2 vxc OK > * mgga_x_ms0 H 1 exc OK > * mgga_x_ms0 H 1 vxc OK > * mgga_x_ms0 Li 2 exc OK > * mgga_x_ms0 Li 1 exc OK > * mgga_x_ms0 Li 1 vxc OK > * mgga_x_ms1 BrOH+ 2 exc OK > * mgga_x_ms1 BrOH+ 2 vxc OK > * mgga_x_ms1 BrOH+ 1 exc OK > * mgga_x_ms1 BrOH+ 1 vxc OK > * mgga_x_ms1 BrOH 2 exc OK > * mgga_x_ms1 BrOH 2 vxc OK > * mgga_x_ms1 BrOH 1 exc OK > * mgga_x_ms1 BrOH 1 vxc OK > * mgga_x_ms1 H 2 exc OK > * mgga_x_ms1 H 2 vxc OK > * mgga_x_ms1 H 1 exc OK > * mgga_x_ms1 H 1 vxc OK > * mgga_x_ms1 Li 2 exc OK > * mgga_x_ms1 Li 1 exc OK > * mgga_x_ms1 Li 1 vxc OK > * mgga_x_ms2 BrOH+ 2 exc OK > * mgga_x_ms2 BrOH+ 2 vxc OK > * mgga_x_ms2 BrOH+ 1 exc OK > * mgga_x_ms2 BrOH+ 1 vxc OK > * mgga_x_ms2 BrOH 2 exc OK > * mgga_x_ms2 BrOH 2 vxc OK > * mgga_x_ms2 BrOH 1 exc OK > * mgga_x_ms2 BrOH 1 vxc OK > * mgga_x_ms2 H 2 exc OK > * mgga_x_ms2 H 2 vxc OK > * mgga_x_ms2 H 1 exc OK > * mgga_x_ms2 H 1 vxc OK > * mgga_x_ms2 Li 2 exc OK > * mgga_x_ms2 Li 2 vxc >8 4 -1.5902393527e+00 -1.5903758164e+00 5.268104e-05 > FAIL > * mgga_x_ms2 Li 1 exc OK > * mgga_x_ms2 Li 1 vxc OK > * mgga_x_ms2b BrOH+ 2 exc OK > * mgga_x_ms2b BrOH+ 2 vxc OK > * mgga_x_ms2b BrOH+ 1 exc OK > * mgga_x_ms2b BrOH+ 1 vxc OK > * mgga_x_ms2b BrOH 2 exc OK > * mgga_x_ms2b BrOH 2 vxc OK > * mgga_x_ms2b BrOH 1 exc OK > * mgga_x_ms2b BrOH 1 vxc OK > * mgga_x_ms2b H 2 exc OK > * mgga_x_ms2b H 2 vxc OK > * mgga_x_ms2b H 1 exc OK > * mgga_x_ms2b H 1 vxc OK > * mgga_x_ms2b Li 2 exc OK > * mgga_x_ms2b Li 2 vxc OK > * mgga_x_ms2b Li 1 exc OK > * mgga_x_ms2b Li 1 vxc OK > * mgga_x_ms2bs BrOH+ 2 exc OK > * mgga_x_ms2bs BrOH+ 2 vxc OK > * mgga_x_ms2bs BrOH+ 1 exc OK > * mgga_x_ms2bs BrOH+ 1 vxc OK > * mgga_x_ms2bs BrOH 2 exc OK > * mgga_x_ms2bs BrOH 2 vxc OK > * mgga_x_ms2bs BrOH 1 exc OK > * mgga_x_ms2bs BrOH 1 vxc OK > * mgga_x_ms2bs H 2 exc OK > * mgga_x_ms2bs H 2 vxc OK > * mgga_x_ms2bs H 1 exc OK > * mgga_x_ms2bs H 1 vxc OK > * mgga_x_ms2bs Li 2 exc OK > * mgga_x_ms2bs Li 2 vxc OK > * mgga_x_ms2bs Li 1 exc OK > * mgga_x_ms2bs Li 1 vxc OK > * mgga_x_mtask BrOH+ 2 exc OK > * mgga_x_mtask BrOH+ 2 vxc OK > * mgga_x_mtask BrOH+ 1 exc OK > * mgga_x_mtask BrOH+ 1 vxc OK > * mgga_x_mtask BrOH 2 exc OK > * mgga_x_mtask BrOH 2 vxc OK > * mgga_x_mtask BrOH 1 exc OK > * mgga_x_mtask BrOH 1 vxc OK > * mgga_x_mtask H 2 exc OK > * mgga_x_mtask H 2 vxc OK > * mgga_x_mtask H 1 exc OK > * mgga_x_mtask H 1 vxc OK > * mgga_x_mtask Li 2 exc OK > * mgga_x_mtask Li 2 vxc OK > * mgga_x_mtask Li 1 exc OK > * mgga_x_mtask Li 1 vxc OK > * mgga_x_mvs BrOH+ 2 exc OK > * mgga_x_mvs BrOH+ 2 vxc OK > * mgga_x_mvs BrOH+ 1 exc OK > * mgga_x_mvs BrOH+ 1 vxc OK > * mgga_x_mvs BrOH 2 exc OK > * mgga_x_mvs BrOH 2 vxc OK > * mgga_x_mvs BrOH 1 exc OK > * mgga_x_mvs BrOH 1 vxc OK > * mgga_x_mvs H 2 exc OK > * mgga_x_mvs H 2 vxc OK > * mgga_x_mvs H 1 exc OK > * mgga_x_mvs H 1 vxc OK > * mgga_x_mvs Li 2 exc OK > * mgga_x_mvs Li 2 vxc OK > * mgga_x_mvs Li 1 exc OK > * mgga_x_mvs Li 1 vxc OK > * mgga_x_mvsb BrOH+ 2 exc OK > * mgga_x_mvsb BrOH+ 2 vxc OK > * mgga_x_mvsb BrOH+ 1 exc OK > * mgga_x_mvsb BrOH+ 1 vxc OK > * mgga_x_mvsb BrOH 2 exc OK > * mgga_x_mvsb BrOH 2 vxc OK > * mgga_x_mvsb BrOH 1 exc OK > * mgga_x_mvsb BrOH 1 vxc OK > * mgga_x_mvsb H 2 exc OK > * mgga_x_mvsb H 2 vxc OK > * mgga_x_mvsb H 1 exc OK > * mgga_x_mvsb H 1 vxc OK > * mgga_x_mvsb Li 2 exc OK > * mgga_x_mvsb Li 2 vxc OK > * mgga_x_mvsb Li 1 exc OK > * mgga_x_mvsb Li 1 vxc OK > * mgga_x_mvsbs BrOH+ 2 exc OK > * mgga_x_mvsbs BrOH+ 2 vxc OK > * mgga_x_mvsbs BrOH+ 1 exc OK > * mgga_x_mvsbs BrOH+ 1 vxc OK > * mgga_x_mvsbs BrOH 2 exc OK > * mgga_x_mvsbs BrOH 2 vxc OK > * mgga_x_mvsbs BrOH 1 exc OK > * mgga_x_mvsbs BrOH 1 vxc OK > * mgga_x_mvsbs H 2 exc OK > * mgga_x_mvsbs H 2 vxc OK > * mgga_x_mvsbs H 1 exc OK > * mgga_x_mvsbs H 1 vxc OK > * mgga_x_mvsbs Li 2 exc OK > * mgga_x_mvsbs Li 2 vxc OK > * mgga_x_mvsbs Li 1 exc OK > * mgga_x_mvsbs Li 1 vxc OK > * mgga_x_pbe_gx BrOH+ 2 exc OK > * mgga_x_pbe_gx BrOH+ 2 vxc OK > * mgga_x_pbe_gx BrOH+ 1 exc OK > * mgga_x_pbe_gx BrOH+ 1 vxc OK > * mgga_x_pbe_gx BrOH 2 exc OK > * mgga_x_pbe_gx BrOH 2 vxc OK > * mgga_x_pbe_gx BrOH 1 exc OK > * mgga_x_pbe_gx BrOH 1 vxc OK > * mgga_x_pbe_gx H 2 exc OK > * mgga_x_pbe_gx H 2 vxc OK > * mgga_x_pbe_gx H 1 exc OK > * mgga_x_pbe_gx H 1 vxc OK > * mgga_x_pbe_gx Li 2 exc OK > * mgga_x_pbe_gx Li 2 vxc OK > * mgga_x_pbe_gx Li 1 exc OK > * mgga_x_pbe_gx Li 1 vxc OK > * mgga_x_pkzb BrOH+ 2 exc OK > * mgga_x_pkzb BrOH+ 2 vxc OK > * mgga_x_pkzb BrOH+ 1 exc OK > * mgga_x_pkzb BrOH+ 1 vxc OK > * mgga_x_pkzb BrOH 2 exc OK > * mgga_x_pkzb BrOH 2 vxc OK > * mgga_x_pkzb BrOH 1 exc OK > * mgga_x_pkzb BrOH 1 vxc OK > * mgga_x_pkzb H 2 exc OK > * mgga_x_pkzb H 2 vxc OK > * mgga_x_pkzb H 1 exc OK > * mgga_x_pkzb H 1 vxc OK > * mgga_x_pkzb Li 2 exc OK > * mgga_x_pkzb Li 2 vxc OK > * mgga_x_pkzb Li 1 exc OK > * mgga_x_pkzb Li 1 vxc OK > * mgga_x_r2scan BrOH+ 2 exc OK > * mgga_x_r2scan BrOH+ 2 vxc OK > * mgga_x_r2scan BrOH+ 1 exc OK > * mgga_x_r2scan BrOH+ 1 vxc OK > * mgga_x_r2scan BrOH 2 exc OK > * mgga_x_r2scan BrOH 2 vxc OK > * mgga_x_r2scan BrOH 1 exc OK > * mgga_x_r2scan BrOH 1 vxc OK > * mgga_x_r2scan H 2 exc OK > * mgga_x_r2scan H 2 vxc OK > * mgga_x_r2scan H 1 exc OK > * mgga_x_r2scan H 1 vxc OK > * mgga_x_r2scan Li 2 exc OK > * mgga_x_r2scan Li 2 vxc OK > * mgga_x_r2scan Li 1 exc OK > * mgga_x_r2scan Li 1 vxc OK > * mgga_x_r2scanl BrOH+ 2 exc OK > * mgga_x_r2scanl BrOH+ 2 vxc OK > * mgga_x_r2scanl BrOH+ 1 exc OK > * mgga_x_r2scanl BrOH+ 1 vxc OK > * mgga_x_r2scanl BrOH 2 exc OK > * mgga_x_r2scanl BrOH 2 vxc OK > * mgga_x_r2scanl BrOH 1 exc OK > * mgga_x_r2scanl BrOH 1 vxc OK > * mgga_x_r2scanl H 2 exc OK > * mgga_x_r2scanl H 2 vxc OK > * mgga_x_r2scanl H 1 exc OK > * mgga_x_r2scanl H 1 vxc OK > * mgga_x_r2scanl Li 2 exc OK > * mgga_x_r2scanl Li 2 vxc OK > * mgga_x_r2scanl Li 1 exc OK > * mgga_x_r2scanl Li 1 vxc OK > * mgga_x_regtm BrOH+ 2 exc OK > * mgga_x_regtm BrOH+ 2 vxc OK > * mgga_x_regtm BrOH+ 1 exc OK > * mgga_x_regtm BrOH+ 1 vxc OK > * mgga_x_regtm BrOH 2 exc OK > * mgga_x_regtm BrOH 2 vxc OK > * mgga_x_regtm BrOH 1 exc OK > * mgga_x_regtm BrOH 1 vxc OK > * mgga_x_regtm H 2 exc OK > * mgga_x_regtm H 2 vxc OK > * mgga_x_regtm H 1 exc OK > * mgga_x_regtm H 1 vxc OK > * mgga_x_regtm Li 2 exc OK > * mgga_x_regtm Li 2 vxc OK > * mgga_x_regtm Li 1 exc OK > * mgga_x_regtm Li 1 vxc OK > * mgga_x_regtpss BrOH+ 2 exc OK > * mgga_x_regtpss BrOH+ 2 vxc OK > * mgga_x_regtpss BrOH+ 1 exc OK > * mgga_x_regtpss BrOH+ 1 vxc OK > * mgga_x_regtpss BrOH 2 exc OK > * mgga_x_regtpss BrOH 2 vxc OK > * mgga_x_regtpss BrOH 1 exc OK > * mgga_x_regtpss BrOH 1 vxc OK > * mgga_x_regtpss H 2 exc OK > * mgga_x_regtpss H 2 vxc OK > * mgga_x_regtpss H 1 exc OK > * mgga_x_regtpss H 1 vxc OK > * mgga_x_regtpss Li 2 exc OK > * mgga_x_regtpss Li 2 vxc OK > * mgga_x_regtpss Li 1 exc OK > * mgga_x_regtpss Li 1 vxc OK > * mgga_x_revm06_l BrOH+ 2 exc OK > * mgga_x_revm06_l BrOH+ 2 vxc OK > * mgga_x_revm06_l BrOH+ 1 exc OK > * mgga_x_revm06_l BrOH+ 1 vxc OK > * mgga_x_revm06_l BrOH 2 exc OK > * mgga_x_revm06_l BrOH 2 vxc OK > * mgga_x_revm06_l BrOH 1 exc OK > * mgga_x_revm06_l BrOH 1 vxc OK > * mgga_x_revm06_l H 2 exc OK > * mgga_x_revm06_l H 2 vxc OK > * mgga_x_revm06_l H 1 exc OK > * mgga_x_revm06_l H 1 vxc OK > * mgga_x_revm06_l Li 2 exc OK > * mgga_x_revm06_l Li 2 vxc OK > * mgga_x_revm06_l Li 1 exc OK > * mgga_x_revm06_l Li 1 vxc OK > * mgga_x_revscan BrOH+ 2 exc OK > * mgga_x_revscan BrOH+ 2 vxc OK > * mgga_x_revscan BrOH+ 1 exc OK > * mgga_x_revscan BrOH+ 1 vxc OK > * mgga_x_revscan BrOH 2 exc OK > * mgga_x_revscan BrOH 2 vxc OK > * mgga_x_revscan BrOH 1 exc OK > * mgga_x_revscan BrOH 1 vxc OK > * mgga_x_revscan H 2 exc OK > * mgga_x_revscan H 2 vxc OK > * mgga_x_revscan H 1 exc OK > * mgga_x_revscan H 1 vxc OK > * mgga_x_revscan Li 2 exc OK > * mgga_x_revscan Li 2 vxc OK > * mgga_x_revscan Li 1 exc OK > * mgga_x_revscan Li 1 vxc OK > * mgga_x_revscanl BrOH+ 2 exc OK > * mgga_x_revscanl BrOH+ 2 vxc OK > * mgga_x_revscanl BrOH+ 1 exc OK > * mgga_x_revscanl BrOH+ 1 vxc OK > * mgga_x_revscanl BrOH 2 exc OK > * mgga_x_revscanl BrOH 2 vxc OK > * mgga_x_revscanl BrOH 1 exc OK > * mgga_x_revscanl BrOH 1 vxc OK > * mgga_x_revscanl H 2 exc OK > * mgga_x_revscanl H 2 vxc OK > * mgga_x_revscanl H 1 exc OK > * mgga_x_revscanl H 1 vxc OK > * mgga_x_revscanl Li 2 exc OK > * mgga_x_revscanl Li 2 vxc OK > * mgga_x_revscanl Li 1 exc OK > * mgga_x_revscanl Li 1 vxc OK > * mgga_x_revtm BrOH+ 2 exc OK > * mgga_x_revtm BrOH+ 2 vxc OK > * mgga_x_revtm BrOH+ 1 exc OK > * mgga_x_revtm BrOH+ 1 vxc OK > * mgga_x_revtm BrOH 2 exc OK > * mgga_x_revtm BrOH 2 vxc OK > * mgga_x_revtm BrOH 1 exc OK > * mgga_x_revtm BrOH 1 vxc OK > * mgga_x_revtm H 2 exc OK > * mgga_x_revtm H 2 vxc OK > * mgga_x_revtm H 1 exc OK > * mgga_x_revtm H 1 vxc OK > * mgga_x_revtm Li 2 exc OK > * mgga_x_revtm Li 2 vxc OK > * mgga_x_revtm Li 1 exc OK > * mgga_x_revtm Li 1 vxc OK > * mgga_x_revtpss BrOH+ 2 exc OK > * mgga_x_revtpss BrOH+ 2 vxc OK > * mgga_x_revtpss BrOH+ 1 exc OK > * mgga_x_revtpss BrOH+ 1 vxc OK > * mgga_x_revtpss BrOH 2 exc OK > * mgga_x_revtpss BrOH 2 vxc OK > * mgga_x_revtpss BrOH 1 exc OK > * mgga_x_revtpss BrOH 1 vxc OK > * mgga_x_revtpss H 2 exc OK > * mgga_x_revtpss H 2 vxc OK > * mgga_x_revtpss H 1 exc OK > * mgga_x_revtpss H 1 vxc OK > * mgga_x_revtpss Li 2 exc OK > * mgga_x_revtpss Li 2 vxc OK > * mgga_x_revtpss Li 1 exc OK > * mgga_x_revtpss Li 1 vxc OK > * mgga_x_rlda BrOH+ 2 exc OK > * mgga_x_rlda BrOH+ 2 vxc OK > * mgga_x_rlda BrOH+ 1 exc OK > * mgga_x_rlda BrOH+ 1 vxc OK > * mgga_x_rlda BrOH 2 exc OK > * mgga_x_rlda BrOH 2 vxc OK > * mgga_x_rlda BrOH 1 exc OK > * mgga_x_rlda BrOH 1 vxc OK > * mgga_x_rlda H 2 exc OK > * mgga_x_rlda H 2 vxc OK > * mgga_x_rlda H 1 exc OK > * mgga_x_rlda H 1 vxc OK > * mgga_x_rlda Li 2 exc OK > * mgga_x_rlda Li 2 vxc OK > * mgga_x_rlda Li 1 exc OK > * mgga_x_rlda Li 1 vxc OK > * mgga_x_rpp09 BrOH+ 2 exc OK > * mgga_x_rpp09 BrOH+ 2 vxc OK > * mgga_x_rpp09 BrOH+ 1 exc OK > * mgga_x_rpp09 BrOH+ 1 vxc OK > * mgga_x_rpp09 BrOH 2 exc OK > * mgga_x_rpp09 BrOH 2 vxc OK > * mgga_x_rpp09 BrOH 1 exc OK > * mgga_x_rpp09 BrOH 1 vxc OK > * mgga_x_rpp09 H 2 exc OK > * mgga_x_rpp09 H 2 vxc OK > * mgga_x_rpp09 H 1 exc OK > * mgga_x_rpp09 H 1 vxc OK > * mgga_x_rpp09 Li 2 exc OK > * mgga_x_rpp09 Li 2 vxc OK > * mgga_x_rpp09 Li 1 exc OK > * mgga_x_rpp09 Li 1 vxc OK > * mgga_x_rscan BrOH+ 2 exc OK > * mgga_x_rscan BrOH+ 2 vxc OK > * mgga_x_rscan BrOH+ 1 exc OK > * mgga_x_rscan BrOH+ 1 vxc OK > * mgga_x_rscan BrOH 2 exc OK > * mgga_x_rscan BrOH 2 vxc OK > * mgga_x_rscan BrOH 1 exc OK > * mgga_x_rscan BrOH 1 vxc OK > * mgga_x_rscan H 2 exc OK > * mgga_x_rscan H 2 vxc OK > * mgga_x_rscan H 1 exc OK > * mgga_x_rscan H 1 vxc OK > * mgga_x_rscan Li 2 exc OK > * mgga_x_rscan Li 2 vxc OK > * mgga_x_rscan Li 1 exc OK > * mgga_x_rscan Li 1 vxc OK > * mgga_x_rtpss BrOH+ 2 exc OK > * mgga_x_rtpss BrOH+ 2 vxc OK > * mgga_x_rtpss BrOH+ 1 exc OK > * mgga_x_rtpss BrOH+ 1 vxc OK > * mgga_x_rtpss BrOH 2 exc OK > * mgga_x_rtpss BrOH 2 vxc OK > * mgga_x_rtpss BrOH 1 exc OK > * mgga_x_rtpss BrOH 1 vxc OK > * mgga_x_rtpss H 2 exc OK > * mgga_x_rtpss H 2 vxc OK > * mgga_x_rtpss H 1 exc OK > * mgga_x_rtpss H 1 vxc OK > * mgga_x_rtpss Li 2 exc OK > * mgga_x_rtpss Li 2 vxc OK > * mgga_x_rtpss Li 1 exc OK > * mgga_x_rtpss Li 1 vxc OK > * mgga_x_sa_tpss BrOH+ 2 exc OK > * mgga_x_sa_tpss BrOH+ 2 vxc OK > * mgga_x_sa_tpss BrOH+ 1 exc OK > * mgga_x_sa_tpss BrOH+ 1 vxc OK > * mgga_x_sa_tpss BrOH 2 exc OK > * mgga_x_sa_tpss BrOH 2 vxc OK > * mgga_x_sa_tpss BrOH 1 exc OK > * mgga_x_sa_tpss BrOH 1 vxc OK > * mgga_x_sa_tpss H 2 exc OK > * mgga_x_sa_tpss H 2 vxc OK > * mgga_x_sa_tpss H 1 exc OK > * mgga_x_sa_tpss H 1 vxc OK > * mgga_x_sa_tpss Li 2 exc OK > * mgga_x_sa_tpss Li 2 vxc OK > * mgga_x_sa_tpss Li 1 exc OK > * mgga_x_sa_tpss Li 1 vxc OK > * mgga_x_scan BrOH+ 2 exc OK > * mgga_x_scan BrOH+ 2 vxc OK > * mgga_x_scan BrOH+ 1 exc OK > * mgga_x_scan BrOH+ 1 vxc OK > * mgga_x_scan BrOH 2 exc OK > * mgga_x_scan BrOH 2 vxc OK > * mgga_x_scan BrOH 1 exc OK > * mgga_x_scan BrOH 1 vxc OK > * mgga_x_scan H 2 exc OK > * mgga_x_scan H 2 vxc OK > * mgga_x_scan H 1 exc OK > * mgga_x_scan H 1 vxc OK > * mgga_x_scan Li 2 exc OK > * mgga_x_scan Li 2 vxc OK > * mgga_x_scan Li 1 exc OK > * mgga_x_scan Li 1 vxc OK > * mgga_x_scanl BrOH+ 2 exc OK > * mgga_x_scanl BrOH+ 2 vxc OK > * mgga_x_scanl BrOH+ 1 exc OK > * mgga_x_scanl BrOH+ 1 vxc OK > * mgga_x_scanl BrOH 2 exc OK > * mgga_x_scanl BrOH 2 vxc OK > * mgga_x_scanl BrOH 1 exc OK > * mgga_x_scanl BrOH 1 vxc OK > * mgga_x_scanl H 2 exc OK > * mgga_x_scanl H 2 vxc OK > * mgga_x_scanl H 1 exc OK > * mgga_x_scanl H 1 vxc OK > * mgga_x_scanl Li 2 exc OK > * mgga_x_scanl Li 2 vxc OK > * mgga_x_scanl Li 1 exc OK > * mgga_x_scanl Li 1 vxc OK > * mgga_x_task BrOH+ 2 exc OK > * mgga_x_task BrOH+ 2 vxc OK > * mgga_x_task BrOH+ 1 exc OK > * mgga_x_task BrOH+ 1 vxc OK > * mgga_x_task BrOH 2 exc OK > * mgga_x_task BrOH 2 vxc OK > * mgga_x_task BrOH 1 exc OK > * mgga_x_task BrOH 1 vxc OK > * mgga_x_task H 2 exc OK > * mgga_x_task H 2 vxc OK > * mgga_x_task H 1 exc OK > * mgga_x_task H 1 vxc OK > * mgga_x_task Li 2 exc OK > * mgga_x_task Li 2 vxc OK > * mgga_x_task Li 1 exc OK > * mgga_x_task Li 1 vxc OK > * mgga_x_tau_hcth BrOH+ 2 exc OK > * mgga_x_tau_hcth BrOH+ 2 vxc OK > * mgga_x_tau_hcth BrOH+ 1 exc OK > * mgga_x_tau_hcth BrOH+ 1 vxc OK > * mgga_x_tau_hcth BrOH 2 exc OK > * mgga_x_tau_hcth BrOH 2 vxc OK > * mgga_x_tau_hcth BrOH 1 exc OK > * mgga_x_tau_hcth BrOH 1 vxc OK > * mgga_x_tau_hcth H 2 exc OK > * mgga_x_tau_hcth H 2 vxc OK > * mgga_x_tau_hcth H 1 exc OK > * mgga_x_tau_hcth H 1 vxc OK > * mgga_x_tau_hcth Li 2 exc OK > * mgga_x_tau_hcth Li 2 vxc OK > * mgga_x_tau_hcth Li 1 exc OK > * mgga_x_tau_hcth Li 1 vxc OK > * mgga_x_tb09 BrOH+ 2 exc OK > * mgga_x_tb09 BrOH+ 2 vxc OK > * mgga_x_tb09 BrOH+ 1 exc OK > * mgga_x_tb09 BrOH+ 1 vxc OK > * mgga_x_tb09 BrOH 2 exc OK > * mgga_x_tb09 BrOH 2 vxc OK > * mgga_x_tb09 BrOH 1 exc OK > * mgga_x_tb09 BrOH 1 vxc OK > * mgga_x_tb09 H 2 exc OK > * mgga_x_tb09 H 2 vxc OK > * mgga_x_tb09 H 1 exc OK > * mgga_x_tb09 H 1 vxc OK > * mgga_x_tb09 H 1 fxc OK > * mgga_x_tb09 Li 2 exc OK > * mgga_x_tb09 Li 2 vxc OK > * mgga_x_tb09 Li 2 fxc OK > * mgga_x_tb09 Li 1 exc OK > * mgga_x_tb09 Li 1 vxc OK > * mgga_x_tb09 Li 1 fxc OK > * mgga_x_th BrOH+ 2 exc OK > * mgga_x_th BrOH+ 2 vxc OK > * mgga_x_th BrOH+ 1 exc OK > * mgga_x_th BrOH+ 1 vxc OK > * mgga_x_th BrOH 2 exc OK > * mgga_x_th BrOH 2 vxc OK > * mgga_x_th BrOH 1 exc OK > * mgga_x_th BrOH 1 vxc OK > * mgga_x_th H 2 exc OK > * mgga_x_th H 2 vxc OK > * mgga_x_th H 1 exc OK > * mgga_x_th H 1 vxc OK > * mgga_x_th Li 2 exc OK > * mgga_x_th Li 2 vxc OK > * mgga_x_th Li 1 exc OK > * mgga_x_th Li 1 vxc OK > * mgga_x_tlda BrOH+ 2 exc OK > * mgga_x_tlda BrOH+ 2 vxc OK > * mgga_x_tlda BrOH+ 1 exc OK > * mgga_x_tlda BrOH+ 1 vxc OK > * mgga_x_tlda BrOH 2 exc OK > * mgga_x_tlda BrOH 2 vxc OK > * mgga_x_tlda BrOH 1 exc OK > * mgga_x_tlda BrOH 1 vxc OK > * mgga_x_tlda H 2 exc OK > * mgga_x_tlda H 2 vxc OK > * mgga_x_tlda H 1 exc OK > * mgga_x_tlda H 1 vxc OK > * mgga_x_tlda Li 2 exc OK > * mgga_x_tlda Li 2 vxc OK > * mgga_x_tlda Li 1 exc OK > * mgga_x_tlda Li 1 vxc OK > * mgga_x_tm BrOH+ 2 exc OK > * mgga_x_tm BrOH+ 2 vxc OK > * mgga_x_tm BrOH+ 1 exc OK > * mgga_x_tm BrOH+ 1 vxc OK > * mgga_x_tm BrOH 2 exc OK > * mgga_x_tm BrOH 2 vxc OK > * mgga_x_tm BrOH 1 exc OK > * mgga_x_tm BrOH 1 vxc OK > * mgga_x_tm H 2 exc OK > * mgga_x_tm H 2 vxc OK > * mgga_x_tm H 1 exc OK > * mgga_x_tm H 1 vxc OK > * mgga_x_tm Li 2 exc OK > * mgga_x_tm Li 2 vxc OK > * mgga_x_tm Li 1 exc OK > * mgga_x_tm Li 1 vxc OK > * mgga_x_tpss BrOH+ 2 exc OK > * mgga_x_tpss BrOH+ 2 vxc OK > * mgga_x_tpss BrOH+ 1 exc OK > * mgga_x_tpss BrOH+ 1 vxc OK > * mgga_x_tpss BrOH 2 exc OK > * mgga_x_tpss BrOH 2 vxc OK > * mgga_x_tpss BrOH 1 exc OK > * mgga_x_tpss BrOH 1 vxc OK > * mgga_x_tpss H 2 exc OK > * mgga_x_tpss H 2 vxc OK > * mgga_x_tpss H 1 exc OK > * mgga_x_tpss H 1 vxc OK > * mgga_x_tpss Li 2 exc OK > * mgga_x_tpss Li 2 vxc OK > * mgga_x_tpss Li 1 exc OK > * mgga_x_tpss Li 1 vxc OK > * mgga_x_vt84 BrOH+ 2 exc OK > * mgga_x_vt84 BrOH+ 2 vxc OK > * mgga_x_vt84 BrOH+ 1 exc OK > * mgga_x_vt84 BrOH+ 1 vxc OK > * mgga_x_vt84 BrOH 2 exc OK > * mgga_x_vt84 BrOH 2 vxc OK > * mgga_x_vt84 BrOH 1 exc OK > * mgga_x_vt84 BrOH 1 vxc OK > * mgga_x_vt84 H 2 exc OK > * mgga_x_vt84 H 2 vxc OK > * mgga_x_vt84 H 1 exc OK > * mgga_x_vt84 H 1 vxc OK > * mgga_x_vt84 Li 2 exc OK > * mgga_x_vt84 Li 2 vxc OK > * mgga_x_vt84 Li 1 exc OK > * mgga_x_vt84 Li 1 vxc OK > * mgga_xc_b97m_v BrOH+ 2 exc OK > * mgga_xc_b97m_v BrOH+ 2 vxc OK > * mgga_xc_b97m_v BrOH+ 1 exc OK > * mgga_xc_b97m_v BrOH+ 1 vxc OK > * mgga_xc_b97m_v BrOH 2 exc OK > * mgga_xc_b97m_v BrOH 2 vxc OK > * mgga_xc_b97m_v BrOH 1 exc OK > * mgga_xc_b97m_v BrOH 1 vxc OK > * mgga_xc_b97m_v H 2 exc OK > * mgga_xc_b97m_v H 1 exc OK > * mgga_xc_b97m_v H 1 vxc OK > * mgga_xc_b97m_v Li 2 exc OK > * mgga_xc_b97m_v Li 2 vxc OK > * mgga_xc_b97m_v Li 1 exc OK > * mgga_xc_b97m_v Li 1 vxc OK > * mgga_xc_cc06 BrOH+ 2 exc OK > * mgga_xc_cc06 BrOH+ 2 vxc OK > * mgga_xc_cc06 BrOH+ 1 exc OK > * mgga_xc_cc06 BrOH+ 1 vxc OK > * mgga_xc_cc06 BrOH 2 exc OK > * mgga_xc_cc06 BrOH 2 vxc OK > * mgga_xc_cc06 BrOH 1 exc OK > * mgga_xc_cc06 BrOH 1 vxc OK > * mgga_xc_cc06 H 2 exc OK > * mgga_xc_cc06 H 1 exc OK > * mgga_xc_cc06 H 1 vxc OK > * mgga_xc_cc06 Li 2 exc OK > * mgga_xc_cc06 Li 2 vxc OK > * mgga_xc_cc06 Li 1 exc OK > * mgga_xc_cc06 Li 1 vxc OK > * mgga_xc_hle17 BrOH+ 2 exc OK > * mgga_xc_hle17 BrOH+ 2 vxc OK > * mgga_xc_hle17 BrOH+ 1 exc OK > * mgga_xc_hle17 BrOH+ 1 vxc OK > * mgga_xc_hle17 BrOH 2 exc OK > * mgga_xc_hle17 BrOH 2 vxc OK > * mgga_xc_hle17 BrOH 1 exc OK > * mgga_xc_hle17 BrOH 1 vxc OK > * mgga_xc_hle17 H 2 exc OK > * mgga_xc_hle17 H 1 exc OK > * mgga_xc_hle17 H 1 vxc >5 0 -1.4702250407e-01 -1.4684776926e-01 1.523377e-04 > >5 1 -4.2349036622e+00 -4.2873520425e+00 9.919593e-03 > >5 3 1.4785111323e-04 4.9151259837e-04 3.434927e-04 > FAIL > * mgga_xc_hle17 Li 2 exc OK > * mgga_xc_hle17 Li 2 vxc OK > * mgga_xc_hle17 Li 1 exc OK > * mgga_xc_hle17 Li 1 vxc OK > * mgga_xc_lp90 BrOH+ 2 exc OK > * mgga_xc_lp90 BrOH+ 2 vxc OK > * mgga_xc_lp90 BrOH+ 1 exc OK > * mgga_xc_lp90 BrOH+ 1 vxc OK > * mgga_xc_lp90 BrOH 2 exc OK > * mgga_xc_lp90 BrOH 2 vxc OK > * mgga_xc_lp90 BrOH 1 exc OK > * mgga_xc_lp90 BrOH 1 vxc OK > * mgga_xc_lp90 H 2 exc OK > * mgga_xc_lp90 H 2 vxc OK > * mgga_xc_lp90 H 1 exc OK > * mgga_xc_lp90 H 1 vxc OK > * mgga_xc_lp90 Li 2 exc OK > * mgga_xc_lp90 Li 2 vxc OK > * mgga_xc_lp90 Li 1 exc OK > * mgga_xc_lp90 Li 1 vxc OK > * mgga_xc_otpss_d BrOH+ 2 exc OK > * mgga_xc_otpss_d BrOH+ 2 vxc OK > * mgga_xc_otpss_d BrOH+ 1 exc OK > * mgga_xc_otpss_d BrOH+ 1 vxc OK > * mgga_xc_otpss_d BrOH 2 exc OK > * mgga_xc_otpss_d BrOH 2 vxc OK > * mgga_xc_otpss_d BrOH 1 exc OK > * mgga_xc_otpss_d BrOH 1 vxc OK > * mgga_xc_otpss_d H 2 exc OK > * mgga_xc_otpss_d H 1 exc OK > * mgga_xc_otpss_d H 1 vxc >5 0 -1.2527829583e-01 -1.2503083080e-01 2.199145e-04 > >5 1 -2.8731851562e+00 -2.9474642292e+00 1.881691e-02 > >5 3 -3.7295855029e-04 1.1374583271e-04 4.865229e-04 > FAIL > * mgga_xc_otpss_d Li 2 exc OK > * mgga_xc_otpss_d Li 2 vxc OK > * mgga_xc_otpss_d Li 1 exc OK > * mgga_xc_otpss_d Li 1 vxc OK > * mgga_xc_tpsslyp1w BrOH+ 2 exc OK > * mgga_xc_tpsslyp1w BrOH+ 2 vxc OK > * mgga_xc_tpsslyp1w BrOH+ 1 exc OK > * mgga_xc_tpsslyp1w BrOH+ 1 vxc OK > * mgga_xc_tpsslyp1w BrOH 2 exc OK > * mgga_xc_tpsslyp1w BrOH 2 vxc OK > * mgga_xc_tpsslyp1w BrOH 1 exc OK > * mgga_xc_tpsslyp1w BrOH 1 vxc OK > * mgga_xc_tpsslyp1w H 2 exc OK > * mgga_xc_tpsslyp1w H 2 vxc OK > * mgga_xc_tpsslyp1w H 1 exc OK > * mgga_xc_tpsslyp1w H 1 vxc OK > * mgga_xc_tpsslyp1w Li 2 exc OK > * mgga_xc_tpsslyp1w Li 2 vxc OK > * mgga_xc_tpsslyp1w Li 1 exc OK > * mgga_xc_tpsslyp1w Li 1 vxc OK > * mgga_xc_zlp BrOH+ 2 exc OK > * mgga_xc_zlp BrOH+ 2 vxc OK > * mgga_xc_zlp BrOH+ 1 exc OK > * mgga_xc_zlp BrOH+ 1 vxc OK > * mgga_xc_zlp BrOH 2 exc OK > * mgga_xc_zlp BrOH 2 vxc OK > * mgga_xc_zlp BrOH 1 exc OK > * mgga_xc_zlp BrOH 1 vxc OK > * mgga_xc_zlp H 2 exc OK > * mgga_xc_zlp H 2 vxc >3 6 4.4761144781e-03 4.3876555787e-03 8.806471e-05 > FAIL > * mgga_xc_zlp H 1 exc OK > * mgga_xc_zlp H 1 vxc OK > * mgga_xc_zlp Li 2 exc OK > * mgga_xc_zlp Li 2 vxc OK > * mgga_xc_zlp Li 1 exc OK > * mgga_xc_zlp Li 1 vxc OK > >FAIL xc-run_testsuite (exit status: 52)
You cannot view the attachment while viewing its details because your browser does not support IFRAMEs.
View the attachment on a separate page
.
View Attachment As Raw
Actions:
View
Attachments on
bug 827334
:
756354
| 756358