PZ81

References: PERDEW1981, ORTIZ1994

Uses the PZ functional. [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• PARAMETRIZATION

• SCALE_C

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

activates the functional [Edit on GitHub]

PARAMETRIZATION: enum = ORIGINAL

Usage: PARAMETRIZATION DMC

Valid values:

• ORIGINAL

• DMC

• VMC

Which one of parametrizations should be used [Edit on GitHub]

SCALE_C: real = 1.00000000E+000

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