name calls method DFT [manual]
b1lyp B1LYP Hyb-GGA Exchange-Correlation Functional
b1lyp-d3bj  
b1pw91 B1PW91 Hyb-GGA Exchange-Correlation Functional
b1wc B1WC Hyb-GGA Exchange-Correlation Functional
b2gpplyp B2GPPLYP Double Hybrid Exchange-Correlation Functional
b2gpplyp-d3bj  
b2gpplyp-nl B2GPPLYP Double Hybrid Exchange-Correlation Functional
b2plyp B2PLYP Double Hybrid Exchange-Correlation Functional
b2plyp-d3bj  
b2plyp-d3mbj  
b2plyp-nl B2PLYP Double Hybrid Exchange-Correlation Functional
b3lyp B3LYP Hyb-GGA Exchange-Correlation Functional
b3lyp-d3bj  
b3lyp-d3mbj  
b3lyp-nl B3LYP-nl Hyb-GGA Exchange-Correlation Functional
b3lyp5 B3LYP5 Hyb-GGA Exchange-Correlation Functional
b3lyps B3LYPs Hyb-GGA Exchange-Correlation Functional
b3p86 B3P86 Hyb-GGA Exchange-Correlation Functional
b3p86-d3bj  
b3pw91 B3PW91 Hyb-GGA Exchange-Correlation Functional
b3pw91-d3bj  
b3pw91-nl B3PW91-nl Hyb-GGA Exchange-Correlation Functional
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
b88b95-d3bj  
b97 B97 Hyb-GGA Exchange-Correlation Functional
b97-1 B97-1 Hyb-GGA Exchange-Correlation Functional
b97-1-d3bj  
b97-1p B97-1p Hyb-GGA Exchange-Correlation Functional
b97-2 B97-2 Hyb-GGA Exchange-Correlation Functional
b97-2-d3bj  
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
blyp BLYP GGA Exchange-Correlation Functional
blyp-d3bj  
blyp-d3mbj  
blyp-nl BLYP GGA Exchange-Correlation Functional
bop BOP GGA Exchange-Correlation Functional
bop-d3bj  
bp86 BP86 GGA Exchange-Correlation Functional
bp86-d3bj  
bp86-d3mbj  
bp86-nl BP86 GGA Exchange-Correlation Functional
cam-b3lyp CAM-B3LYP Hyb-GGA Exchange-Correlation Functional
cam-b3lyp-d3bj  
cap0 CAP0 Hyb-GGA Exchange-Correlation Functional
core-dsd-blyp  
core-dsd-blyp-d3bj  
dldf Dispersionless Hybrid Meta-GGA XC Functional
dldf+d09 Dispersionless Hybrid Meta-GGA XC Functional
dldf+d10 Dispersionless Hybrid Meta-GGA XC Functional
dsd-blyp DSD-BLYP SCS Double Hybrid XC Functional (not dispersion corrected)
dsd-blyp-d3bj  
dsd-blyp-nl DSD-BLYP-NL (D3BJ,FC parameters) VV10 SCS Double Hybrid XC Functional
dsd-pbeb95 DSD-PBEB95 SCS Double Hybrid Meta-GGA XC Functional (not dispersion corrected)
dsd-pbeb95-d3bj  
dsd-pbeb95-nl DSD-PBEB95-NL (D3BJ parameters) VV10 SCS Double Hybrid Meta-GGA XC Functional
dsd-pbep86 DSD-PBEP86 SCS Double Hybrid XC Functional (not dispersion corrected)
dsd-pbep86-d3bj  
dsd-pbep86-nl DSD-PBEP86-NL (D3BJ parameters) VV10 SCS Double Hybrid XC Functional
dsd-pbepbe DSD-PBEPBE SCS Double Hybrid XC Functional (not dispersion corrected)
dsd-pbepbe-d3bj  
dsd-pbepbe-nl DSD-PBEPBE-NL (D3BJ parameters) VV10 SCS Double Hybrid XC Functional
edf1 EDF1 GGA Exchange-Correlation Functional
edf2 EDF2 Hyb-GGA Exchange-Correlation Functional
ft97 FT97 GGA Exchange-Correlation Functional
gam GAM GGA Minessota Exchange-Correlation Functional
hcth120 HCTH120 GGA Exchange-Correlation Functional
hcth120-d3bj  
hcth147 HCTH147 GGA Exchange-Correlation Functional
hcth407 HCTH407 GGA Exchange-Correlation Functional
hcth407-d3bj  
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-d3bj  
hf-nl  
hf3c Hartree Fock based 3C composite method with minimal basis set, gCP and D3(BJ)
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
hse03-d3bj  
hse06 HSE06 Hyb-GGA Exchange-Correlation Functional
hse06-d3bj  
ksdt KSDT Exchange-Correlation Functional
kt2 KT2 GGA Exchange-Correlation Functional
lc-vv10 LC-VV10 GGA Exchange-Correlation Functional
lrc-wpbe LRC-WPBE GGA Exchange-Correlation Functional
lrc-wpbeh LRC-wPBEh Hyb-GGA Exchange-Correlation Functional
m05 M05 Meta-GGA XC Functional
m05-2x Heavily Parameterized Hybrid M05-2X Meta-GGA XC Functional
m06 M06 Meta-GGA XC Functional
m06-2x Hybrid M06-2X Meta-GGA XC Functional
m06-hf Minnesota M06-HF Hybrid XC Functional
m06-l M06-L Meta-GGA XC Functional
m08-hx Minnesota M08-HX Hybrid XC Functional
m08-so Minnesota M08-SO Hybrid XC Functional
m11 M11 Meta-GGA XC Functional
m11-d3bj  
m11-l M11-L Meta-GGA XC Functional
m11-l-d3bj  
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
mgga_ms2h MGGA_MS2h Hybrid Meta-GGA XC Functional
mgga_mvs MGGA_MVS Meta-GGA XC Functional
mgga_mvsh MGGA_MV2h Hybrid Meta-GGA XC Functional
mn12-l MN12-L Meta-GGA XC Functional
mn12-l-d3bj  
mn12-sx MN12-SX Meta-GGA Hybrid Screened Exchange-Correlation Functional
mn12-sx-d3bj  
mn15 MN15 Hybrid Meta-GGA Exchange-Correlation Functional
mn15-d3bj  
mn15-l MN15-L Meta-GGA XC Functional
mohlyp MOHLYP GGA Exchange-Correlation Functional
mohlyp2 MOHLYP2 GGA Exchange-Correlation Functional
mpw1b95 mPW1B95 Hyb-GGA Exchange-Correlation Functional
mpw1b95-d3bj  
mpw1k mPW1K Hyb-GGA Exchange-Correlation Functional
mpw1lyp mPW1LYP Hybrid GGA Exchange-Correlation Functional
mpw1pbe mPW1PBE Hybrid GGA Exchange-Correlation Functional
mpw1pw mPW1PW Hyb-GGA Exchange-Correlation Functional
mpw1pw-d3bj  
mpw3lyp mPW3LYP Hyb-GGA Exchange-Correlation Functional
mpw3pw mPW3PW Hyb-GGA Exchange-Correlation Functional
mpwb1k mPWB1K Hyb-GGA Exchange-Correlation Functional
mpwb1k-d3bj  
mpwlyp1m mPWLYP1M Hyb-GGA Exchange-Correlation Functional
mpwlyp1w mPWLYP1W GGA Exchange-Correlation Functional
mpwpw mPWPW GGA Exchange-Correlation Functional
n12 N12 nonseparable GGA Exchange-Correlation Functional
n12-d3bj  
n12-sx N12-SX Hybrid nonseparable GGA Exchange-Correlation Functional
n12-sx-d3bj  
o3lyp O3LYP Hyb-GGA Exchange-Correlation Functional
o3lyp-d3bj  
oblyp-d  
op-pbe BP86 GGA Exchange-Correlation Functional
opbe-d  
opwlyp-d  
otpss-d  
pbe PBE GGA Exchange-Correlation Functional
pbe-d3bj  
pbe-d3mbj  
pbe-nl PBE GGA Exchange-Correlation Functional
pbe0 PBE0 Hyb-GGA Exchange-Correlation Functional
pbe0-13 PBE0-13 Hyb-GGA Exchange-Correlation Functional
pbe0-2 PBE0-2 Double Hybrid Exchange-Correlation Functional
pbe0-d3bj  
pbe0-d3mbj  
pbe0-dh  
pbe0-nl PBE0-nl Hyb-GGA Exchange-Correlation Functional
pbe1w PBE1W GGA Exchange-Correlation Functional
pbe50 PBE50 Hybrid GGA Exchange-Correlation Functional
pbeh3c PBE Hybrid based 3C composite method with a small basis set, gCP and D3(BJ)
pbelyp1w PBELYP1W GGA Exchange-Correlation Functional
pkzb PKZB Meta-GGA XC Functional
ptpss PTPSS SOS Double Hybrid XC Functional
ptpss-d3bj  
pw6b95 PW6B95 Hybrid Meta-GGA XC Functional
pw6b95-d3bj  
pw86b95 PW86B95 Hyb-GGA Exchange-Correlation Functional
pw86pbe PW86PBE GGA Exchange-Correlation Functional
pw91 PW91 GGA Exchange-Correlation Functional
pw91-d3bj  
pwb6k PWB6K Hyb-GGA Exchange-Correlation Functional
pwb6k-d3bj  
pwpb95 PWPB95 SOS Double Hybrid XC Functional
pwpb95-d3bj  
pwpb95-nl PWPB95 SOS Double Hybrid XC Functional
revb3lyp revB3LYP Hyb-GGA Exchange-Correlation Functional
revpbe revPBE GGA Exchange-Correlation Functional
revpbe-d3bj  
revpbe-nl revPBE GGA Exchange-Correlation Functional
revpbe0 revPBE0 Hybrid GGA Exchange-Correlation Functional
revpbe0-d3bj  
revpbe0-nl revPBE0 Hybrid GGA Exchange-Correlation Functional
revtpss revised TPSS Meta-GGA XC Functional
revtpss-d3bj  
revtpssh revTPSSh Hyb-GGA Exchange-Correlation Functional
revtpssh-d3bj  
rpbe RPBE GGA Exchange-Correlation Functional
rpbe-d3bj  
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
sogga SOGGA Exchange + PBE Correlation Functional
sogga11 SOGGA11 Exchange-Correlation Functional
sogga11-x SOGGA11-X Hybrid Exchange-Correlation Functional
sogga11-x-d3bj  
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
tpss TPSS Meta-GGA XC Functional
tpss-d3bj  
tpss-nl TPSS Meta-GGA XC Functional
tpssh TPSSh Hyb-GGA Exchange-Correlation Functional
tpssh-d3bj  
tpssh-nl TPSSh-nl Hyb-GGA Exchange-Correlation Functional
tpsslyp1w TPSSLYP1W GGA Exchange-Correlation Functional
tuned-cam-b3lyp TUNED-CAM-B3LYP Hyb-GGA Exchange-Correlation Functional
vsxc VSXC Meta-GGA XC 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-d  
wb97x-v wB97X-V Hyb-GGA Exchange-Correlation Functional
wpbe PBE SR-XC Functional (HJS Model)
wpbe-d3bj  
wpbe-d3mbj  
wpbe0 PBE0 SR-XC Functional (HJS Model)
x1b95 X1B95 Hyb-GGA Exchange-Correlation Functional
x3lyp X3LYP Hyb-GGA Exchange-Correlation Functional
x3lyp-d3bj  
xb1k XB1K Hyb-GGA Exchange-Correlation Functional
xlyp XLYP GGA Exchange-Correlation Functional
xlyp-d3bj  
zlp ZLP GGA Exchange-Correlation Functional