name calls method DFT [manual]
b1b95 B1B95 Hyb-GGA Exchange-Correlation Functional
b1b95-d3  
b1b95-d3bj  
b1lyp B1LYP Hyb-GGA Exchange-Correlation Functional
b1pw91 B1PW91 Hyb-GGA Exchange-Correlation Functional
b1wc B1WC Hyb-GGA Exchange-Correlation Functional
b2plyp B2PLYP Double Hybrid Exchange-Correlation Functional
b2plyp-d  
b2plyp-d3  
b2plyp-d3bj  
b2plyp-d3m  
b2plyp-d3mbj  
b3lyp B3LYP Hyb-GGA Exchange-Correlation Functional
b3lyp-d  
b3lyp-d3  
b3lyp-d3bj  
b3lyp-d3m  
b3lyp-d3mbj  
b3lyp5 B3LYP5 Hyb-GGA Exchange-Correlation Functional
b3lyps B3LYPS Hyb-GGA Exchange-Correlation Functional
b3p86 B3P86 Hyb-GGA Exchange-Correlation Functional
b3pw91 B3PW91 Hyb-GGA Exchange-Correlation Functional
b3pw91-d3  
b3pw91-d3bj  
b5050lyp B5050LYP Hyb-GGA Exchange-Correlation Functional
b86b95 B86B95 Hyb-GGA Exchange-Correlation Functional
b86bpbe B86BPBE GGA Exchange-Correlation Functional
b88b95 B88B95 Hyb-GGA Exchange-Correlation Functional
b97 B97 Hyb-GGA Exchange-Correlation Functional
b97-0 B97-0 Hyb-GGA Exchange-Correlation Functional
b97-1 B97-1 Hyb-GGA Exchange-Correlation Functional
b97-1p B97-1P Hyb-GGA Exchange-Correlation Functional
b97-2 B97-2 Hyb-GGA Exchange-Correlation Functional
b97-3 B97-3 Hyb-GGA Exchange-Correlation Functional
b97-d  
b97-d3  
b97-d3bj  
b97-d3m  
b97-d3mbj  
b97-gga1 B97-GGA1 GGA Exchange-Correlation Functional
b97-k B97-K Hyb-GGA Exchange-Correlation Functional
b97m-v B97M-V GGA Exchange-Correlation Functional
bb1k BB1K Hyb-GGA Exchange-Correlation Functional
bhandh BHANDH Hyb-GGA Exchange-Correlation Functional
bhandhlyp BHANDHLYP Hyb-GGA Exchange-Correlation Functional
bhhlyp BHHLYP Hyb-GGA Exchange-Correlation Functional
blyp BLYP GGA Exchange-Correlation Functional
blyp-d  
blyp-d3  
blyp-d3bj  
blyp-d3m  
blyp-d3mbj  
bop BOP GGA Exchange-Correlation Functional
bop-d3  
bop-d3bj  
bp86 BP86 GGA Exchange-Correlation Functional
bp86-d  
bp86-d3  
bp86-d3bj  
bp86-d3m  
bp86-d3mbj  
cam-b3lyp CAM-B3LYP Hyb-GGA Exchange-Correlation Functional
camy-b3lyp CAMY-B3LYP Hyb-GGA Exchange-Correlation Functional
camy-blyp CAMY-BLYP Hyb-GGA Exchange-Correlation Functional
cap0 CAP0 Hyb-GGA Exchange-Correlation Functional
dsd-pbep86 DSD-PBEP86 Dispersion-corrected SCS Double Hybrid XC Functional (opt. for -D2)
dsd-pbep86-d  
dsd-pbepbe DSD-PBEPBE Dispersion-corrected SCS Double Hybrid XC Functional
dsd-pbepbe-d  
edf1 EDF1 GGA Exchange-Correlation Functional
edf2 EDF2 Hyb-GGA Exchange-Correlation Functional
ft97 FT97 GGA Exchange-Correlation Functional
hcth HCTH GGA Exchange-Correlation Functional
hcth120 HCTH120 GGA Exchange-Correlation Functional
hcth120-d3  
hcth120-d3bj  
hcth147 HCTH147 GGA Exchange-Correlation Functional
hcth407 HCTH407 GGA Exchange-Correlation Functional
hcth407p HCTH407P GGA Exchange-Correlation Functional
hcth93 HCTH93 GGA Exchange-Correlation Functional
hcthp14 HCTHP14 GGA Exchange-Correlation Functional
hcthp76 HCTHP76 GGA Exchange-Correlation Functional
hf  
hf+d  
hf-d3  
hf-d3bj  
hf3c Hartree Fock as Roothaan prescribed plus 3C
hf3c-d3bj  
hjs-b88 HJS-B88 Hyb-GGA Exchange-Correlation Functional
hjs-b97x HJS-B97X Hyb-GGA Exchange-Correlation Functional
hjs-pbe HJS-PBE Hyb-GGA Exchange-Correlation Functional
hjs-pbe-sol HJS-PBE-SOL Hyb-GGA Exchange-Correlation Functional
hpbeint HPBEINT Hyb-GGA Exchange-Correlation Functional
hse03 HSE03 Hyb-GGA Exchange-Correlation Functional
hse06 HSE06 Hyb-GGA Exchange-Correlation Functional
ksdt KSDT Exchange-Correlation Functional
kt2 KT2 GGA Exchange-Correlation Functional
lc-vv10 LC-VV10 GGA Exchange-Correlation Functional
lcy-blyp LCY-BLYP GGA Exchange-Correlation Functional
lcy-pbe LCY-PBE GGA Exchange-Correlation Functional
lrc-wpbe LRC-WPBE GGA Exchange-Correlation Functional
lrc-wpbeh LRC-WPBEH Hyb-GGA Exchange-Correlation Functional
m05 M05 Hyb-GGA Exchange-Correlation Functional
m05-2x M05-2X Hyb-GGA Exchange-Correlation Functional
m05-2x-d3  
m05-d3  
m06 M06 Hyb-GGA Exchange-Correlation Functional
m06-2x M06-2X Hyb-GGA Exchange-Correlation Functional
m06-d3  
m06-hf M06-HF Hyb-GGA Exchange-Correlation Functional
m08-hx M08-HX Hyb-GGA Exchange-Correlation Functional
m08-so M08-SO Hyb-GGA Exchange-Correlation Functional
m11 M11 Hyb-GGA Exchange-Correlation Functional
m11-l M11-L Meta-GGA XC Functional
mb3lyp-rc04 MB3LYP-RC04 Hyb-GGA Exchange-Correlation Functional
mgga_ms0 MGGA_MS0 Meta-GGA XC Functional
mgga_ms1 MGGA_MS1 Meta-GGA XC Functional
mgga_ms2 MGGA_MS2 Meta-GGA XC Functional
mohlyp MOHLYP GGA Exchange-Correlation Functional
mohlyp2 MOHLYP2 GGA Exchange-Correlation Functional
mpw1b95 MPW1B95 Hyb-GGA Exchange-Correlation Functional
mpw1b95-d3  
mpw1b95-d3bj  
mpw1k MPW1K Hyb-GGA Exchange-Correlation Functional
mpw1pw MPW1PW Hyb-GGA Exchange-Correlation Functional
mpw3lyp MPW3LYP Hyb-GGA Exchange-Correlation Functional
mpw3pw MPW3PW Hyb-GGA Exchange-Correlation Functional
mpwb1k MPWB1K Hyb-GGA Exchange-Correlation Functional
mpwb1k-d3  
mpwb1k-d3bj  
mpwlyp1m MPWLYP1M Hyb-GGA Exchange-Correlation Functional
mpwlyp1w MPWLYP1W GGA Exchange-Correlation Functional
o3lyp O3LYP Hyb-GGA Exchange-Correlation Functional
opbe-d  
otpss-d  
pbe PBE GGA Exchange-Correlation Functional
pbe-d  
pbe-d3  
pbe-d3bj  
pbe-d3m  
pbe-d3mbj  
pbe0 PBE0 Hyb-GGA Exchange-Correlation Functional
pbe0-13 PBE0-13 Hyb-GGA Exchange-Correlation Functional
pbe0-2 PBE0-2 Double Hydrid Exchange-Correlation Functional
pbe0-d  
pbe0-d3  
pbe0-d3bj  
pbe0-d3m  
pbe0-d3mbj  
pbe1w PBE1W GGA Exchange-Correlation Functional
pbeh PBEH Hyb-GGA Exchange-Correlation Functional
pbeh3c PBEH-3C Hybrid GGA Exchange-Correlation Functional plus 3C
pbeh3c-d3bj  
pbelyp1w PBELYP1W GGA Exchange-Correlation Functional
pw6b95 PW6B95 Hyb-GGA Exchange-Correlation Functional
pw6b95-d3  
pw6b95-d3bj  
pw86b95 PW86B95 Hyb-GGA Exchange-Correlation Functional
pw86pbe PW86PBE GGA Exchange-Correlation Functional
pw91 PW91 GGA Exchange-Correlation Functional
pwb6k PWB6K Hyb-GGA Exchange-Correlation Functional
pwb6k-d3  
pwb6k-d3bj  
revb3lyp REVB3LYP Hyb-GGA Exchange-Correlation Functional
revtpssh REVTPSSH Hyb-GGA Exchange-Correlation Functional
sb98-1a SB98-1A Hyb-GGA Exchange-Correlation Functional
sb98-1b SB98-1B Hyb-GGA Exchange-Correlation Functional
sb98-1c SB98-1C Hyb-GGA Exchange-Correlation Functional
sb98-2a SB98-2A Hyb-GGA Exchange-Correlation Functional
sb98-2b SB98-2B Hyb-GGA Exchange-Correlation Functional
sb98-2c SB98-2C Hyb-GGA Exchange-Correlation Functional
svwn SVWN3 (RPA) LSDA Functional
teter93 TETER93 Exchange-Correlation Functional
th-fc TH-FC GGA Exchange-Correlation Functional
th-fcfo TH-FCFO GGA Exchange-Correlation Functional
th-fco TH-FCO GGA Exchange-Correlation Functional
th-fl TH-FL GGA Exchange-Correlation Functional
th1 TH1 GGA Exchange-Correlation Functional
th2 TH2 GGA Exchange-Correlation Functional
th3 TH3 GGA Exchange-Correlation Functional
th4 TH4 GGA Exchange-Correlation Functional
tpssh TPSSH Hyb-GGA Exchange-Correlation Functional
tpssh-d3  
tpssh-d3bj  
tpsslyp1w TPSSLYP1W GGA Exchange-Correlation Functional
tuned-cam-b3lyp TUNED-CAM-B3LYP Hyb-GGA Exchange-Correlation Functional
vv10 VV10 GGA Exchange-Correlation Functional
wb97 WB97 GGA Exchange-Correlation Functional
wb97m-v WB97M-V Hyb-GGA Exchange-Correlation Functional
wb97x WB97X Hyb-GGA Exchange-Correlation Functional
wb97x-v WB97X-V Hyb-GGA Exchange-Correlation Functional
x1b95 X1B95 Hyb-GGA Exchange-Correlation Functional
x3lyp X3LYP Hyb-GGA Exchange-Correlation Functional
xb1k XB1K Hyb-GGA Exchange-Correlation Functional
xc_gga_xc_b97_d XC_GGA_XC_B97_D GGA Exchange-Correlation Functional
xc_gga_xc_b97_gga1 XC_GGA_XC_B97_GGA1 GGA Exchange-Correlation Functional
xc_gga_xc_edf1 XC_GGA_XC_EDF1 GGA Exchange-Correlation Functional
xc_gga_xc_hcth_120 XC_GGA_XC_HCTH_120 GGA Exchange-Correlation Functional
xc_gga_xc_hcth_147 XC_GGA_XC_HCTH_147 GGA Exchange-Correlation Functional
xc_gga_xc_hcth_407 XC_GGA_XC_HCTH_407 GGA Exchange-Correlation Functional
xc_gga_xc_hcth_407p XC_GGA_XC_HCTH_407P GGA Exchange-Correlation Functional
xc_gga_xc_hcth_93 XC_GGA_XC_HCTH_93 GGA Exchange-Correlation Functional
xc_gga_xc_hcth_p14 XC_GGA_XC_HCTH_P14 GGA Exchange-Correlation Functional
xc_gga_xc_hcth_p76 XC_GGA_XC_HCTH_P76 GGA Exchange-Correlation Functional
xc_gga_xc_kt2 XC_GGA_XC_KT2 GGA Exchange-Correlation Functional
xc_gga_xc_mohlyp XC_GGA_XC_MOHLYP GGA Exchange-Correlation Functional
xc_gga_xc_mohlyp2 XC_GGA_XC_MOHLYP2 GGA Exchange-Correlation Functional
xc_gga_xc_mpwlyp1w XC_GGA_XC_MPWLYP1W GGA Exchange-Correlation Functional
xc_gga_xc_opbe_d XC_GGA_XC_OPBE_D GGA Exchange-Correlation Functional
xc_gga_xc_pbe1w XC_GGA_XC_PBE1W GGA Exchange-Correlation Functional
xc_gga_xc_pbelyp1w XC_GGA_XC_PBELYP1W GGA Exchange-Correlation Functional
xc_gga_xc_th1 XC_GGA_XC_TH1 GGA Exchange-Correlation Functional
xc_gga_xc_th2 XC_GGA_XC_TH2 GGA Exchange-Correlation Functional
xc_gga_xc_th3 XC_GGA_XC_TH3 GGA Exchange-Correlation Functional
xc_gga_xc_th4 XC_GGA_XC_TH4 GGA Exchange-Correlation Functional
xc_gga_xc_th_fc XC_GGA_XC_TH_FC GGA Exchange-Correlation Functional
xc_gga_xc_th_fcfo XC_GGA_XC_TH_FCFO GGA Exchange-Correlation Functional
xc_gga_xc_th_fco XC_GGA_XC_TH_FCO GGA Exchange-Correlation Functional
xc_gga_xc_th_fl XC_GGA_XC_TH_FL GGA Exchange-Correlation Functional
xc_gga_xc_vv10 XC_GGA_XC_VV10 GGA Exchange-Correlation Functional
xc_gga_xc_xlyp XC_GGA_XC_XLYP GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b1lyp XC_HYB_GGA_XC_B1LYP Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b1pw91 XC_HYB_GGA_XC_B1PW91 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b1wc XC_HYB_GGA_XC_B1WC Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b3lyp XC_HYB_GGA_XC_B3LYP Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b3lyp5 XC_HYB_GGA_XC_B3LYP5 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b3lyps XC_HYB_GGA_XC_B3LYPS Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b3p86 XC_HYB_GGA_XC_B3P86 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b3pw91 XC_HYB_GGA_XC_B3PW91 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b97 XC_HYB_GGA_XC_B97 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b97_1 XC_HYB_GGA_XC_B97_1 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b97_1p XC_HYB_GGA_XC_B97_1P Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b97_2 XC_HYB_GGA_XC_B97_2 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b97_3 XC_HYB_GGA_XC_B97_3 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_b97_k XC_HYB_GGA_XC_B97_K Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_bhandh XC_HYB_GGA_XC_BHANDH Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_bhandhlyp XC_HYB_GGA_XC_BHANDHLYP Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_camy_b3lyp XC_HYB_GGA_XC_CAMY_B3LYP Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_camy_blyp XC_HYB_GGA_XC_CAMY_BLYP Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_cam_b3lyp XC_HYB_GGA_XC_CAM_B3LYP Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_cap0 XC_HYB_GGA_XC_CAP0 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_edf2 XC_HYB_GGA_XC_EDF2 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_hjs_b88 XC_HYB_GGA_XC_HJS_B88 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_hjs_b97x XC_HYB_GGA_XC_HJS_B97X Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_hjs_pbe XC_HYB_GGA_XC_HJS_PBE Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_hjs_pbe_sol XC_HYB_GGA_XC_HJS_PBE_SOL Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_hpbeint XC_HYB_GGA_XC_HPBEINT Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_hse03 XC_HYB_GGA_XC_HSE03 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_hse06 XC_HYB_GGA_XC_HSE06 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_lcy_blyp XC_HYB_GGA_XC_LCY_BLYP GGA Exchange-Correlation Functional
xc_hyb_gga_xc_lcy_pbe XC_HYB_GGA_XC_LCY_PBE GGA Exchange-Correlation Functional
xc_hyb_gga_xc_lc_vv10 XC_HYB_GGA_XC_LC_VV10 GGA Exchange-Correlation Functional
xc_hyb_gga_xc_lrc_wpbe XC_HYB_GGA_XC_LRC_WPBE GGA Exchange-Correlation Functional
xc_hyb_gga_xc_lrc_wpbeh XC_HYB_GGA_XC_LRC_WPBEH Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_mb3lyp_rc04 XC_HYB_GGA_XC_MB3LYP_RC04 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_mpw1k XC_HYB_GGA_XC_MPW1K Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_mpw1pw XC_HYB_GGA_XC_MPW1PW Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_mpw3lyp XC_HYB_GGA_XC_MPW3LYP Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_mpw3pw XC_HYB_GGA_XC_MPW3PW Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_mpwlyp1m XC_HYB_GGA_XC_MPWLYP1M Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_o3lyp XC_HYB_GGA_XC_O3LYP Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_pbe0_13 XC_HYB_GGA_XC_PBE0_13 Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_pbeh XC_HYB_GGA_XC_PBEH Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_revb3lyp XC_HYB_GGA_XC_REVB3LYP Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_sb98_1a XC_HYB_GGA_XC_SB98_1A Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_sb98_1b XC_HYB_GGA_XC_SB98_1B Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_sb98_1c XC_HYB_GGA_XC_SB98_1C Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_sb98_2a XC_HYB_GGA_XC_SB98_2A Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_sb98_2b XC_HYB_GGA_XC_SB98_2B Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_sb98_2c XC_HYB_GGA_XC_SB98_2C Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_tuned_cam_b3lyp XC_HYB_GGA_XC_TUNED_CAM_B3LYP Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_wb97 XC_HYB_GGA_XC_WB97 GGA Exchange-Correlation Functional
xc_hyb_gga_xc_wb97x XC_HYB_GGA_XC_WB97X Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_wb97x_d XC_HYB_GGA_XC_WB97X_D Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_wb97x_v XC_HYB_GGA_XC_WB97X_V Hyb-GGA Exchange-Correlation Functional
xc_hyb_gga_xc_x3lyp XC_HYB_GGA_XC_X3LYP Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_b86b95 XC_HYB_MGGA_XC_B86B95 Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_b88b95 XC_HYB_MGGA_XC_B88B95 Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_bb1k XC_HYB_MGGA_XC_BB1K Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_m05 XC_HYB_MGGA_XC_M05 Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_m05_2x XC_HYB_MGGA_XC_M05_2X Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_m06 XC_HYB_MGGA_XC_M06 Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_m06_2x XC_HYB_MGGA_XC_M06_2X Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_m06_hf XC_HYB_MGGA_XC_M06_HF Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_m08_hx XC_HYB_MGGA_XC_M08_HX Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_m08_so XC_HYB_MGGA_XC_M08_SO Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_m11 XC_HYB_MGGA_XC_M11 Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_mpw1b95 XC_HYB_MGGA_XC_MPW1B95 Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_mpwb1k XC_HYB_MGGA_XC_MPWB1K Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_pw6b95 XC_HYB_MGGA_XC_PW6B95 Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_pw86b95 XC_HYB_MGGA_XC_PW86B95 Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_pwb6k XC_HYB_MGGA_XC_PWB6K Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_revtpssh XC_HYB_MGGA_XC_REVTPSSH Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_tpssh XC_HYB_MGGA_XC_TPSSH Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_wb97m_v XC_HYB_MGGA_XC_WB97M_V Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_x1b95 XC_HYB_MGGA_XC_X1B95 Hyb-GGA Exchange-Correlation Functional
xc_hyb_mgga_xc_xb1k XC_HYB_MGGA_XC_XB1K Hyb-GGA Exchange-Correlation Functional
xc_lda_xc_ksdt XC_LDA_XC_KSDT Exchange-Correlation Functional
xc_lda_xc_teter93 XC_LDA_XC_TETER93 Exchange-Correlation Functional
xc_lda_xc_zlp XC_LDA_XC_ZLP Exchange-Correlation Functional
xc_mgga_xc_b97m_v XC_MGGA_XC_B97M_V GGA Exchange-Correlation Functional
xc_mgga_xc_otpss_d XC_MGGA_XC_OTPSS_D GGA Exchange-Correlation Functional
xc_mgga_xc_tpsslyp1w XC_MGGA_XC_TPSSLYP1W GGA Exchange-Correlation Functional
xc_mgga_xc_zlp XC_MGGA_XC_ZLP GGA Exchange-Correlation Functional
xlyp XLYP GGA Exchange-Correlation Functional
zlp ZLP GGA Exchange-Correlation Functional
dldf Dispersionless Hybrid Meta-GGA XC Functional
dldf+d Dispersionless Hybrid Meta-GGA XC Functional
dldf+d09 Dispersionless Hybrid Meta-GGA XC Functional
wb97x-d  
wpbe PBE SR-XC Functional (HJS Model)
wpbe-d3  
wpbe-d3bj  
wpbe-d3m  
wpbe-d3mbj  
wpbe0 PBE0 SR-XC Functional (HJS Model)