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

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

b97-0

B97-0 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-d3bj

b97-d3mbj

b97-gga1

B97-GGA1 GGA Exchange-Correlation Functional

b97-k

B97-K Hyb-GGA Exchange-Correlation Functional

b97m-d3bj

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

bmk

BMK Hybrid Meta-GGA XC Functional for kinetics

bmk-d3bj

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

bp86-vwn

BP86 GGA XC Functional based on VWN5 corr. & more accurate ftilde value

cap0

CAP0 Hyb-GGA Exchange-Correlation Functional

dldf

Dispersionless Hybrid Meta-GGA XC Functional

dldf+d09

Dispersionless Hybrid Meta-GGA XC Functional

dldf+d10

Dispersionless Hybrid Meta-GGA 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-d3mbj

hf-nl

hf3c

Hartree Fock based 3C composite method with minimal basis set, gCP and D3(BJ)

hpbeint

HPBEINT Hyb-GGA Exchange-Correlation Functional

kmlyp

KMLYP Hyb-GGA Exchange-Correlation Functional

ksdt

KSDT Exchange-Correlation Functional

kt2

KT2 GGA Exchange-Correlation Functional

lda0

LDA0 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-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

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

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

pbe-sol

Perdew, Burke & Ernzerhof exchange (solids)

pbe-sol-d3bj

pbe0

PBE0 Hyb-GGA Exchange-Correlation Functional

pbe0-13

PBE0-13 Hyb-GGA Exchange-Correlation Functional

pbe0-d3bj

pbe0-d3mbj

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

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

revb3lyp

revB3LYP Hyb-GGA Exchange-Correlation Functional

revm06-l

Revised M06-L Meta-GGA XC 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

revscan

Revised SCAN Meta-GGA XC Functional

revscan0

Revised SCAN0 Hybrid Meta-GGA XC Functional

revtpss

revised TPSS Meta-GGA XC Functional

revtpss-d3bj

revtpss-nl

revised TPSS Meta-GGA XC Functional

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

scan

SCAN Meta-GGA XC Functional

scan-d3bj

scan0

SCAN0 Hybrid Meta-GGA XC 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

t-hcth

Tau HCTH Meta-GGA XC Functional

t-hcth-d3bj

t-hcthh

Hybrid Tau HCTH Meta-GGA XC 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

vsxc

VSXC Meta-GGA XC Functional

vv10

VV10 GGA Exchange-Correlation Functional

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