Name |
Description |
GGA? |
Meta? |
X_LRC? |
X_Hybrid? |
C_LRC? |
C_Hybrid? |
C_SCS? SS/OS |
Dispersion? |
Dispersion Description |
|---|---|---|---|---|---|---|---|---|---|---|
B1LYP-D3BJ2B |
B1LYP-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
B1LYP-D3BJATM |
B1LYP-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
B1LYP-D3ZERO2B |
B1LYP-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
B1LYP-D3ZEROATM |
B1LYP-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
B2GPPLYP-D3BJ2B |
B2GPPLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.650000 |
— |
0.360000 |
— |
Y |
|
B2GPPLYP-D3BJATM |
B2GPPLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.650000 |
— |
0.360000 |
— |
Y |
|
B2GPPLYP-D3ZERO2B |
B2GPPLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.650000 |
— |
0.360000 |
— |
Y |
|
B2GPPLYP-D3ZEROATM |
B2GPPLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.650000 |
— |
0.360000 |
— |
Y |
|
B2PLYP-D3BJ2B |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3BJATM |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3MBJ2B |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3MBJATM |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3MZERO2B |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3MZEROATM |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3ZERO2B |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3ZEROATM |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B3LYP-D3BJ2B |
B3LYP-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3LYP-D3BJATM |
B3LYP-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3LYP-D3MBJ2B |
B3LYP-d3mbj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3LYP-D3MBJATM |
B3LYP-d3mbjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3LYP-D3MZERO2B |
B3LYP-d3mzero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3LYP-D3MZEROATM |
B3LYP-d3mzeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3LYP-D3OPATM |
B3LYP-d3opatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3LYP-D3ZERO2B |
B3LYP-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3LYP-D3ZEROATM |
B3LYP-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3P86-D3BJ2B |
B3P86-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3P86-D3BJATM |
B3P86-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3P86-D3ZERO2B |
B3P86-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3P86-D3ZEROATM |
B3P86-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3PW91-D3BJ2B |
B3PW91-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3PW91-D3BJATM |
B3PW91-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3PW91-D3ZERO2B |
B3PW91-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3PW91-D3ZEROATM |
B3PW91-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B88B95-D3BJ2B |
B88B95-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
B88B95-D3BJATM |
B88B95-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
B88B95-D3ZERO2B |
B88B95-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
B88B95-D3ZEROATM |
B88B95-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
B97-1-D3BJ2B |
B97-1-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.210000 |
— |
— |
— |
Y |
|
B97-1-D3BJATM |
B97-1-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.210000 |
— |
— |
— |
Y |
|
B97-1-D3ZERO2B |
B97-1-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.210000 |
— |
— |
— |
Y |
|
B97-1-D3ZEROATM |
B97-1-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.210000 |
— |
— |
— |
Y |
|
B97-2-D3BJ2B |
B97-2-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.210000 |
— |
— |
— |
Y |
|
B97-2-D3BJATM |
B97-2-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.210000 |
— |
— |
— |
Y |
|
B97-2-D3ZERO2B |
B97-2-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.210000 |
— |
— |
— |
Y |
|
B97-2-D3ZEROATM |
B97-2-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.210000 |
— |
— |
— |
Y |
|
B97-D |
B97-D GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
B97-D3BJ |
B97-D3BJ GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
B97-D3MBJ |
B97-D3MBJ GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
B97M-D3BJ |
B97M-V with D3(BJ) instead of VV10 dispersion |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3BJ2B |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3BJATM |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3MBJ2B |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3MBJATM |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3MZERO2B |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3MZEROATM |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3OPATM |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3ZERO2B |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3ZEROATM |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BMK-D3BJ2B |
BMK Hybrid Meta-GGA XC Functional for kinetics |
Y |
Y |
— |
0.420000 |
— |
— |
— |
Y |
|
BMK-D3BJATM |
BMK Hybrid Meta-GGA XC Functional for kinetics |
Y |
Y |
— |
0.420000 |
— |
— |
— |
Y |
|
BMK-D3ZERO2B |
BMK Hybrid Meta-GGA XC Functional for kinetics |
Y |
Y |
— |
0.420000 |
— |
— |
— |
Y |
|
BMK-D3ZEROATM |
BMK Hybrid Meta-GGA XC Functional for kinetics |
Y |
Y |
— |
0.420000 |
— |
— |
— |
Y |
|
BOP-D3BJ2B |
BOP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BOP-D3BJATM |
BOP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BOP-D3ZERO2B |
BOP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BOP-D3ZEROATM |
BOP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D3BJ2B |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D3BJATM |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D3MBJ2B |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D3MBJATM |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D3MZERO2B |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D3MZEROATM |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D3ZERO2B |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D3ZEROATM |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
CAM-B3LYP-D3BJ2B |
CAM-B3LYP-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.330000 |
0.190000 |
— |
— |
— |
Y |
|
CAM-B3LYP-D3BJATM |
CAM-B3LYP-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.330000 |
0.190000 |
— |
— |
— |
Y |
|
CAM-B3LYP-D3ZERO2B |
CAM-B3LYP-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.330000 |
0.190000 |
— |
— |
— |
Y |
|
CAM-B3LYP-D3ZEROATM |
CAM-B3LYP-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.330000 |
0.190000 |
— |
— |
— |
Y |
|
CORE-DSD-BLYP |
DSD-BLYP SCS Double Hybrid XC Functional (full-core param.) |
Y |
— |
— |
0.690000 |
— |
1.000000 |
0.370000 / 0.460000 |
Y |
|
CORE-DSD-BLYP-D3BJ2B |
DSD-BLYP SCS Double Hybrid XC Functional (full-core param.) |
Y |
— |
— |
0.690000 |
— |
1.000000 |
0.370000 / 0.460000 |
Y |
|
CORE-DSD-BLYP-D3BJATM |
DSD-BLYP SCS Double Hybrid XC Functional (full-core param.) |
Y |
— |
— |
0.690000 |
— |
1.000000 |
0.370000 / 0.460000 |
Y |
|
DSD-BLYP-D3BJ |
DSD-BLYP-D3BJ Dispersion-corrected SCS Double Hybrid XC Functional |
Y |
— |
— |
0.710000 |
— |
1.000000 |
0.400000 / 0.470000 |
Y |
|
DSD-BLYP-D3BJ2B |
DSD-BLYP SCS Double Hybrid XC Functional (not dispersion corrected) |
Y |
— |
— |
0.750000 |
— |
1.000000 |
0.600000 / 0.460000 |
Y |
|
DSD-BLYP-D3BJATM |
DSD-BLYP SCS Double Hybrid XC Functional (not dispersion corrected) |
Y |
— |
— |
0.750000 |
— |
1.000000 |
0.600000 / 0.460000 |
Y |
|
DSD-BLYP-D3ZERO2B |
DSD-BLYP SCS Double Hybrid XC Functional (not dispersion corrected) |
Y |
— |
— |
0.750000 |
— |
1.000000 |
0.600000 / 0.460000 |
Y |
|
DSD-BLYP-D3ZEROATM |
DSD-BLYP SCS Double Hybrid XC Functional (not dispersion corrected) |
Y |
— |
— |
0.750000 |
— |
1.000000 |
0.600000 / 0.460000 |
Y |
|
DSD-PBEB95-D3BJ |
DSD-PBEB95-D3BJ Dispersion-corrected SCS Double Hybrid Meta-GGA XC Functional |
Y |
Y |
— |
0.660000 |
— |
1.000000 |
0.090000 / 0.460000 |
Y |
|
DSD-PBEP86-D3BJ |
DSD-PBEP86-D3BJ Dispersion-corrected SCS Double Hybrid XC Functional |
Y |
— |
— |
0.690000 |
— |
1.000000 |
0.220000 / 0.520000 |
Y |
|
DSD-PBEPBE-D3BJ |
DSD-PBEPBE-D3BJ Dispersion-corrected SCS Double Hybrid XC Functional |
Y |
— |
— |
0.680000 |
— |
1.000000 |
0.130000 / 0.550000 |
Y |
|
HCTH120-D3BJ2B |
HCTH120-d3bj2b GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
HCTH120-D3BJATM |
HCTH120-d3bjatm GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
HCTH120-D3ZERO2B |
HCTH120-d3zero2b GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
HCTH120-D3ZEROATM |
HCTH120-d3zeroatm GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
HCTH407-D3BJ2B |
HCTH407-d3bj2b GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
HCTH407-D3BJATM |
HCTH407-d3bjatm GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
HCTH407-D3ZERO2B |
HCTH407-d3zero2b GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
HCTH407-D3ZEROATM |
HCTH407-d3zeroatm GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
HF-D3BJ2B |
Hartree–Fock theory |
— |
— |
— |
1.000000 |
— |
— |
— |
Y |
|
HF-D3BJATM |
Hartree–Fock theory |
— |
— |
— |
1.000000 |
— |
— |
— |
Y |
|
HF-D3MBJ2B |
Hartree–Fock theory |
— |
— |
— |
1.000000 |
— |
— |
— |
Y |
|
HF-D3MBJATM |
Hartree–Fock theory |
— |
— |
— |
1.000000 |
— |
— |
— |
Y |
|
HF-D3MZERO2B |
Hartree–Fock theory |
— |
— |
— |
1.000000 |
— |
— |
— |
Y |
|
HF-D3MZEROATM |
Hartree–Fock theory |
— |
— |
— |
1.000000 |
— |
— |
— |
Y |
|
HF-D3ZERO2B |
Hartree–Fock theory |
— |
— |
— |
1.000000 |
— |
— |
— |
Y |
|
HF-D3ZEROATM |
Hartree–Fock theory |
— |
— |
— |
1.000000 |
— |
— |
— |
Y |
|
HSE03-D3BJ2B |
HSE03-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.106066 |
0.250000 |
— |
— |
— |
Y |
|
HSE03-D3BJATM |
HSE03-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.106066 |
0.250000 |
— |
— |
— |
Y |
|
HSE03-D3ZERO2B |
HSE03-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.106066 |
0.250000 |
— |
— |
— |
Y |
|
HSE03-D3ZEROATM |
HSE03-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.106066 |
0.250000 |
— |
— |
— |
Y |
|
HSE06-D3BJ2B |
HSE06-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.110000 |
0.250000 |
— |
— |
— |
Y |
|
HSE06-D3BJATM |
HSE06-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.110000 |
0.250000 |
— |
— |
— |
Y |
|
HSE06-D3ZERO2B |
HSE06-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.110000 |
0.250000 |
— |
— |
— |
Y |
|
HSE06-D3ZEROATM |
HSE06-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.110000 |
0.250000 |
— |
— |
— |
Y |
|
M05-2X-D3ZERO2B |
Heavily Parameterized Hybrid M05-2X Meta-GGA XC Functional |
Y |
Y |
— |
0.560000 |
— |
— |
— |
Y |
|
M05-2X-D3ZEROATM |
Heavily Parameterized Hybrid M05-2X Meta-GGA XC Functional |
Y |
Y |
— |
0.560000 |
— |
— |
— |
Y |
|
M05-D3ZERO2B |
M05 Meta-GGA XC Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
M05-D3ZEROATM |
M05 Meta-GGA XC Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
M06-2X-D3ZERO2B |
Hybrid M06-2X Meta-GGA XC Functional |
Y |
Y |
— |
0.540000 |
— |
— |
— |
Y |
|
M06-2X-D3ZEROATM |
Hybrid M06-2X Meta-GGA XC Functional |
Y |
Y |
— |
0.540000 |
— |
— |
— |
Y |
|
M06-D3ZERO2B |
M06 Meta-GGA XC Functional |
Y |
Y |
— |
0.270000 |
— |
— |
— |
Y |
|
M06-D3ZEROATM |
M06 Meta-GGA XC Functional |
Y |
Y |
— |
0.270000 |
— |
— |
— |
Y |
|
M06-HF-D3ZERO2B |
Minnesota M06-HF Hybrid XC Functional |
Y |
Y |
— |
1.000000 |
— |
— |
— |
Y |
|
M06-HF-D3ZEROATM |
Minnesota M06-HF Hybrid XC Functional |
Y |
Y |
— |
1.000000 |
— |
— |
— |
Y |
|
M06-L-D3ZERO2B |
M06-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
M06-L-D3ZEROATM |
M06-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
M08-HX-D3ZERO2B |
Minnesota M08-HX Hybrid XC Functional |
Y |
Y |
— |
0.522300 |
— |
— |
— |
Y |
|
M08-HX-D3ZEROATM |
Minnesota M08-HX Hybrid XC Functional |
Y |
Y |
— |
0.522300 |
— |
— |
— |
Y |
|
M11-D3BJ2B |
M11 Meta-GGA XC Functional |
Y |
Y |
0.250000 |
0.428000 |
— |
— |
— |
Y |
|
M11-D3BJATM |
M11 Meta-GGA XC Functional |
Y |
Y |
0.250000 |
0.428000 |
— |
— |
— |
Y |
|
M11-D3ZERO2B |
M11 Meta-GGA XC Functional |
Y |
Y |
0.250000 |
0.428000 |
— |
— |
— |
Y |
|
M11-D3ZEROATM |
M11 Meta-GGA XC Functional |
Y |
Y |
0.250000 |
0.428000 |
— |
— |
— |
Y |
|
M11-L-D3BJ2B |
M11-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
M11-L-D3BJATM |
M11-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
M11-L-D3ZERO2B |
M11-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
M11-L-D3ZEROATM |
M11-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
MGGA_MS2H-D3OPATM |
MGGA_MS2h Hybrid Meta-GGA XC Functional |
Y |
Y |
— |
0.090000 |
— |
— |
— |
Y |
|
MN12-L-D3BJ2B |
MN12-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
MN12-L-D3BJATM |
MN12-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
MN12-L-D3ZERO2B |
MN12-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
MN12-L-D3ZEROATM |
MN12-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
MN12-SX-D3BJ2B |
MN12-SX Meta-GGA Hybrid Screened Exchange-Correlation Functional |
Y |
Y |
0.110000 |
0.250000 |
— |
— |
— |
Y |
|
MN12-SX-D3BJATM |
MN12-SX Meta-GGA Hybrid Screened Exchange-Correlation Functional |
Y |
Y |
0.110000 |
0.250000 |
— |
— |
— |
Y |
|
MN12-SX-D3ZERO2B |
MN12-SX Meta-GGA Hybrid Screened Exchange-Correlation Functional |
Y |
Y |
0.110000 |
0.250000 |
— |
— |
— |
Y |
|
MN12-SX-D3ZEROATM |
MN12-SX Meta-GGA Hybrid Screened Exchange-Correlation Functional |
Y |
Y |
0.110000 |
0.250000 |
— |
— |
— |
Y |
|
MN15-D3BJ2B |
MN15 Hybrid Meta-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
Y |
|
MN15-D3BJATM |
MN15 Hybrid Meta-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
Y |
|
MN15-L-D3ZERO2B |
MN15-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
MN15-L-D3ZEROATM |
MN15-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
MPW1B95-D3BJ2B |
mPW1B95-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.310000 |
— |
— |
— |
Y |
|
MPW1B95-D3BJATM |
mPW1B95-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.310000 |
— |
— |
— |
Y |
|
MPW1B95-D3ZERO2B |
mPW1B95-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.310000 |
— |
— |
— |
Y |
|
MPW1B95-D3ZEROATM |
mPW1B95-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.310000 |
— |
— |
— |
Y |
|
MPW1LYP-D3ZERO2B |
mPW1LYP Hybrid GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
MPW1LYP-D3ZEROATM |
mPW1LYP Hybrid GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
MPW1PW-D3BJ2B |
mPW1PW-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
MPW1PW-D3BJATM |
mPW1PW-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
MPW1PW-D3ZERO2B |
mPW1PW-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
MPW1PW-D3ZEROATM |
mPW1PW-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
MPWB1K-D3BJ2B |
mPWB1K-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
Y |
|
MPWB1K-D3BJATM |
mPWB1K-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
Y |
|
MPWB1K-D3ZERO2B |
mPWB1K-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
Y |
|
MPWB1K-D3ZEROATM |
mPWB1K-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
Y |
|
MPWPW-D3BJATM |
mPWPW GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
MPWPW-D3ZEROATM |
mPWPW GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
N12-D3BJ2B |
N12 nonseparable GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
N12-D3BJATM |
N12 nonseparable GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
N12-D3ZERO2B |
N12 nonseparable GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
N12-D3ZEROATM |
N12 nonseparable GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
N12-SX-D3BJ2B |
N12-SX Hybrid nonseparable GGA Exchange-Correlation Functional |
Y |
— |
0.110000 |
0.250000 |
— |
— |
— |
Y |
|
N12-SX-D3BJATM |
N12-SX Hybrid nonseparable GGA Exchange-Correlation Functional |
Y |
— |
0.110000 |
0.250000 |
— |
— |
— |
Y |
|
N12-SX-D3ZERO2B |
N12-SX Hybrid nonseparable GGA Exchange-Correlation Functional |
Y |
— |
0.110000 |
0.250000 |
— |
— |
— |
Y |
|
N12-SX-D3ZEROATM |
N12-SX Hybrid nonseparable GGA Exchange-Correlation Functional |
Y |
— |
0.110000 |
0.250000 |
— |
— |
— |
Y |
|
O3LYP-D3BJ2B |
O3LYP-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.116100 |
— |
— |
— |
Y |
|
O3LYP-D3BJATM |
O3LYP-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.116100 |
— |
— |
— |
Y |
|
O3LYP-D3ZERO2B |
O3LYP-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.116100 |
— |
— |
— |
Y |
|
O3LYP-D3ZEROATM |
O3LYP-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.116100 |
— |
— |
— |
Y |
|
OBLYP-D |
OBLYP-D GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
OPBE-D |
OPBE-D GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
OPWLYP-D |
OPWLYP-D GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
OTPSS-D |
OTPSS-D GGA Exchange-Correlation Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
PBE-D3BJ2B |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-D3BJATM |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-D3MBJ2B |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-D3MBJATM |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-D3MZERO2B |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-D3MZEROATM |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-D3OPATM |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-D3ZERO2B |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-D3ZEROATM |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-SOL-D3BJ2B |
Perdew, Burke & Ernzerhof exchange (solids) |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-SOL-D3BJATM |
Perdew, Burke & Ernzerhof exchange (solids) |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-SOL-D3ZERO2B |
Perdew, Burke & Ernzerhof exchange (solids) |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-SOL-D3ZEROATM |
Perdew, Burke & Ernzerhof exchange (solids) |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE0-D3BJ2B |
PBE0-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-D3BJATM |
PBE0-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-D3MBJ2B |
PBE0-d3mbj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-D3MBJATM |
PBE0-d3mbjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-D3MZERO2B |
PBE0-d3mzero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-D3MZEROATM |
PBE0-d3mzeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-D3OPATM |
PBE0-d3opatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-D3ZERO2B |
PBE0-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-D3ZEROATM |
PBE0-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-DH |
PBE0-DH Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.500000 |
— |
0.125000 |
— |
Y |
|
PBE0-DH-D3BJ2B |
PBE0-DH Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.500000 |
— |
0.125000 |
— |
Y |
|
PBE0-DH-D3BJATM |
PBE0-DH Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.500000 |
— |
0.125000 |
— |
Y |
|
PBE0-DH-D3ZERO2B |
PBE0-DH Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.500000 |
— |
0.125000 |
— |
Y |
|
PBE0-DH-D3ZEROATM |
PBE0-DH Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.500000 |
— |
0.125000 |
— |
Y |
|
PKZB-D3ZERO2B |
PKZB Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
PKZB-D3ZEROATM |
PKZB Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
PTPSS-D3BJ2B |
PTPSS SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.375000 |
Y |
|
PTPSS-D3BJATM |
PTPSS SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.375000 |
Y |
|
PTPSS-D3ZERO2B |
PTPSS SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.375000 |
Y |
|
PTPSS-D3ZEROATM |
PTPSS SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.375000 |
Y |
|
PW6B95-D3BJ2B |
PW6B95 Hybrid Meta-GGA XC Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
PW6B95-D3BJATM |
PW6B95 Hybrid Meta-GGA XC Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
PW6B95-D3ZERO2B |
PW6B95 Hybrid Meta-GGA XC Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
PW6B95-D3ZEROATM |
PW6B95 Hybrid Meta-GGA XC Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
PW91-D3BJ2B |
PW91 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PW91-D3BJATM |
PW91 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PWB6K-D3BJ2B |
PWB6K-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.460000 |
— |
— |
— |
Y |
|
PWB6K-D3BJATM |
PWB6K-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.460000 |
— |
— |
— |
Y |
|
PWB6K-D3ZERO2B |
PWB6K-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.460000 |
— |
— |
— |
Y |
|
PWB6K-D3ZEROATM |
PWB6K-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.460000 |
— |
— |
— |
Y |
|
PWPB95-D3BJ2B |
PWPB95 SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.269000 |
Y |
|
PWPB95-D3BJATM |
PWPB95 SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.269000 |
Y |
|
PWPB95-D3ZERO2B |
PWPB95 SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.269000 |
Y |
|
PWPB95-D3ZEROATM |
PWPB95 SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.269000 |
Y |
|
REVPBE-D3BJ2B |
revPBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
REVPBE-D3BJATM |
revPBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
REVPBE-D3OPATM |
revPBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
REVPBE-D3ZERO2B |
revPBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
REVPBE-D3ZEROATM |
revPBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
REVPBE0-D3BJ2B |
revPBE0 Hybrid GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
REVPBE0-D3BJATM |
revPBE0 Hybrid GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
REVPBE0-D3OPATM |
revPBE0 Hybrid GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
REVPBE0-D3ZERO2B |
revPBE0 Hybrid GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
REVPBE0-D3ZEROATM |
revPBE0 Hybrid GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
REVTPSS-D3BJ2B |
revised TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
REVTPSS-D3BJATM |
revised TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
REVTPSS-D3OPATM |
revised TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
REVTPSS-D3ZERO2B |
revised TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
REVTPSS-D3ZEROATM |
revised TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
REVTPSSH-D3BJ2B |
revTPSSh-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
REVTPSSH-D3BJATM |
revTPSSh-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
REVTPSSH-D3OPATM |
revTPSSh-d3opatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
REVTPSSH-D3ZERO2B |
revTPSSh-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
REVTPSSH-D3ZEROATM |
revTPSSh-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
RPBE-D3BJ2B |
RPBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
RPBE-D3BJATM |
RPBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
RPBE-D3ZERO2B |
RPBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
RPBE-D3ZEROATM |
RPBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
SCAN-D3BJ2B |
SCAN Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
SCAN-D3BJATM |
SCAN Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
SCAN-D3ZERO2B |
SCAN Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
SCAN-D3ZEROATM |
SCAN Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
SOGGA11-X-D3BJ2B |
SOGGA11-X Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.401500 |
— |
— |
— |
Y |
|
SOGGA11-X-D3BJATM |
SOGGA11-X Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.401500 |
— |
— |
— |
Y |
|
SOGGA11-X-D3ZERO2B |
SOGGA11-X Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.401500 |
— |
— |
— |
Y |
|
SOGGA11-X-D3ZEROATM |
SOGGA11-X Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.401500 |
— |
— |
— |
Y |
|
T-HCTH-D3BJ2B |
Tau HCTH Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
T-HCTH-D3BJATM |
Tau HCTH Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
T-HCTH-D3ZERO2B |
Tau HCTH Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
T-HCTH-D3ZEROATM |
Tau HCTH Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
TPSS-D3BJ2B |
TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
TPSS-D3BJATM |
TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
TPSS-D3OPATM |
TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
TPSS-D3ZERO2B |
TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
TPSS-D3ZEROATM |
TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
TPSSH-D3BJ2B |
TPSSh-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
TPSSH-D3BJATM |
TPSSh-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
TPSSH-D3OPATM |
TPSSh-d3opatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
TPSSH-D3ZERO2B |
TPSSh-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
TPSSH-D3ZEROATM |
TPSSh-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
WB97M-D3BJ |
wB97M-V with D3(BJ) instead of VV10 dispersion |
Y |
Y |
0.300000 |
0.150000 |
— |
— |
— |
Y |
|
WB97X-D |
wB97X-D Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.200000 |
0.222036 |
— |
— |
— |
Y |
|
WB97X-D3 |
wB97X-D3 Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.250000 |
0.195728 |
— |
— |
— |
Y |
|
WB97X-D3BJ |
wB97X-V with D3(BJ) instead of VV10 dispersion |
Y |
— |
0.300000 |
0.167000 |
— |
— |
— |
Y |
|
WB97X-D3BJATM |
wB97X-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.300000 |
0.157706 |
— |
— |
— |
Y |
|
WB97X-D3ZERO2B |
wB97X-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.300000 |
0.157706 |
— |
— |
— |
Y |
|
WB97X-D3ZEROATM |
wB97X-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
0.300000 |
0.157706 |
— |
— |
— |
Y |
|
WPBE-D3BJ2B |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
Y |
|
WPBE-D3BJATM |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
Y |
|
WPBE-D3MBJ2B |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
Y |
|
WPBE-D3MBJATM |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
Y |
|
WPBE-D3MZERO2B |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
Y |
|
WPBE-D3MZEROATM |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
Y |
|
WPBE-D3ZERO2B |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
Y |
|
WPBE-D3ZEROATM |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
Y |
|
X3LYP-D3BJ2B |
X3LYP-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.218000 |
— |
— |
— |
Y |
|
X3LYP-D3BJATM |
X3LYP-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.218000 |
— |
— |
— |
Y |
|
X3LYP-D3ZERO2B |
X3LYP-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.218000 |
— |
— |
— |
Y |
|
X3LYP-D3ZEROATM |
X3LYP-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.218000 |
— |
— |
— |
Y |
|
XLYP-D3BJ2B |
XLYP-d3bj2b GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
XLYP-D3BJATM |
XLYP-d3bjatm GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
XLYP-D3ZERO2B |
XLYP-d3zero2b GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
XLYP-D3ZEROATM |
XLYP-d3zeroatm GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
