VWN

References: VOSKO1980

Uses the VWN functional [Edit on GitHub]

Keywords

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

activates the functional [Edit on GitHub]

FUNCTIONAL_TYPE: enum = VWN5

Usage: FUNCTIONAL_TYPE VWN5

Valid values:

  • VWN5 This is the recommended (correct) version of the VWN functional

  • VWN3 This version is the default in Gaussian, but not recommended. Notice that it is also employed in Gaussian’s default version of B3LYP

Which version of the VWN functional should be used [Edit on GitHub]

SCALE_C: real = 1.00000000E+000

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