...
Functional | Gaussian | Turbomole | Molpro | GAMESS | NWChem | ORCA | Terachem | ADF |
---|---|---|---|---|---|---|---|---|
S | x | x | x | x | x | x | x | x |
XAXa | x | x | x | |||||
B | x | x | x | x | x | x | x | x |
BR | x | |||||||
PW86 | x | x | x | |||||
PW91 | x | x | x | x | x | x | ||
mPW | x | x | x | |||||
G96 | x | x | x | x | x | |||
PBE | x | x | x | x | x | x | x | x |
PBE96 | x | x | x | |||||
O | x | x | x | x | x | |||
TPSS | x | x | x | |||||
RevTPSS | x | x | x | |||||
BRx | x | |||||||
PKZB | x | |||||||
PBEh | x | |||||||
LHF | x | x | x | |||||
OEP | x | |||||||
CS1 | x | |||||||
CS2 | x | |||||||
HTBS | x | |||||||
BEE | x |
...