XALPHA

Uses the XALPHA (SLATER) functional. [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• SCALE_X

• XA

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

activates the functional [Edit on GitHub]

SCALE_X: real = 1.00000000E+000

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

XA: real = 6.66666667E-001

Usage: XA 0.7

Value of the xa parameter (this does not change the exponent, just the mixing) [Edit on GitHub]