Dispersion-Corrected functionals available in PSI4

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-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-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

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

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-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-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-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-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-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-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-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-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-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