TPSS

References: Tao2003

Uses the TPSS functional. Note, that there is no LSD version available. In such cases, use the LIBXC version instead. [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE_C

• SCALE_X

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

Activates the functional [Edit on GitHub]

SCALE_C: real = 1.00000000E+000

scales the correlation part of the functional [Edit on GitHub]

SCALE_X: real = 1.00000000E+000

scales the exchange part of the functional [Edit on GitHub]