In VASP calculation, the exchange-correlation is defined by the pseudopotential used. To select the specific type of exchange-correlation, use GGA=TAG.
VASP provides follwing GGA functionals.
GGA = 91 | PE | RP | PS | AM
To include AM05 functional in your calculation, just use PBE PAW potentials. Then, in the INCAR file, use:
GGA =AM (for AM05)
Note: The tags AM (AM05) and PS (PBEsol) are only supported by VASP.5.X.
No comments:
Post a Comment