name calls method DFT [manual]
b3lyp B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA)
b3lyp-d  
b3lyp-d3  
b3lyp-d3bj  
b3lyp-d3m  
b3lyp-d3mbj  
b3lyp5 B3LYP5 Hybrid-GGA Exchange-Correlation Functional (VWN5)
b3_x Becke88 GGA Exchange (B3LYP weighting)
b86bpbe B86BPBE GGA Exchange-Correlation Functional
b88_x Becke88 GGA Exchange
b97-0 B97-0 Hybrid-GGA Exchange-Correlation Functional
b97-1 B97-1 Hybrid-GGA Exchange-Correlation Functional
b97-2 B97-2 Hybrid-GGA Exchange-Correlation Functional
b97-d  
b97-d3  
b97-d3bj  
b97-d3m  
b97-d3mbj  
blyp BLYP GGA Exchange-Correlation Functional
blyp-d  
blyp-d3  
blyp-d3bj  
blyp-d3m  
blyp-d3mbj  
bp86 BP86 GGA Exchange-Correlation Functional
bp86-d  
bp86-d3  
bp86-d3bj  
bp86-d3m  
bp86-d3mbj  
ft97 FT97 GGA Exchange-Correlation Functional
ft97b_x Filitov and Theil 1997 Exchange
ft97_c FT97 Correlation (Involves Ei functions)
hcth HCTH Pure-GGA Exchange-Correlation Functional
hcth120 HCTH120 Pure-GGA Exchange-Correlation Functional
hcth120-d3  
hcth120-d3bj  
hcth147 HCTH147 Pure-GGA Exchange-Correlation Functional
hcth407 HCTH407 Pure-GGA Exchange-Correlation Functional
hf Hartree Fock as Roothan prescribed
hf+d  
hf-d3  
hf-d3bj  
hf3c Hartree Fock as Roothan prescribed plus 3C
hf_x Hartree-Fock Exchange Functional
lyp_c LYP Correlation
m05 Heavily Parameterized Hybrid Meta-GGA XC Functional
m05-2x Heavily Parameterized Hybrid Meta-GGA XC Functional
m05-2x-d3  
m05-d3  
p86_c P86 Correlation (PZ81 LSDA + P86 GGA)
pbe PBE GGA Exchange-Correlation Functional
pbe-d  
pbe-d3  
pbe-d3bj  
pbe-d3m  
pbe-d3mbj  
pbe0 PBE0 Hybrid GGA Exchange-Correlation Functional
pbe0-d  
pbe0-d3  
pbe0-d3bj  
pbe0-d3m  
pbe0-d3mbj  
pbea_c New Implementation of PBEC in wPBEc-sr.
pbeh3c PBE-3C Hybrid GGA Exchange-Correlation Functional
pbesol_x PBEsol GGA Exchange Hole (Parameter Free)
pbe_c PBE Correlation
pbe_x PBE GGA Exchange Hole (Parameter Free)
pw86pbe PW86PBE GGA Exchange-Correlation Functional
pw91 PW91 GGA Exchange-Correlation Functional
pw91_c PW91 Correlation
pw91_x PW91 Parameterized GGA Exchange
pw92a_c New Implementation of PW92C in wPBEc-sr.
pw92_c  
pz81_c PZ81 Correlation
rpbe_x RPBE GGA Exchange Hole (Parameter Free)
sogga Second Order GGA Exchange-Correlation Functional
sogga_x Second Order GGA Exchange Hole (Parameter Free)
svwn SVWN3 (RPA) LSDA Functional
s_x Slater LSDA Exchange
vwn3rpa_c VWN3 LSDA Correlation, RPA Parameters, VWN1 Spin Polarization
vwn3_c VWN3 LSDA Correlation, QMC Parameters, VWN1 Spin Polarization
vwn5rpa_c VWN5 LSDA Correlation, RPA Parameters, VWN5 Spin Polarization
vwn5_c VWN5 LSDA Correlation, QMC Parameters, VWN5 Spin Polarization
dldf Dispersionless Hybrid Meta-GGA XC Functional
dldf+d Dispersionless Hybrid Meta-GGA XC Functional
dldf+d09 Dispersionless Hybrid Meta-GGA XC Functional