BECKE_ROUSSEL
References: BECKE1989, Proynov2008
Becke Roussel exchange hole model. Can be used as long range correction with a truncated coulomb potential [Edit on GitHub]
Keywords
Keyword descriptions
- SECTION_PARAMETERS: logical = F
Lone keyword:
T
activates the functional [Edit on GitHub]
- CUTOFF_RADIUS: real = 0.00000000E+000
Usage: CUTOFF_RADIUS 2.0
Defines the cutoff radius for the truncation. If put to zero, the standard full range potential will be used [Edit on GitHub]
- GAMMA: real = 1.00000000E+000
Usage: GAMMA 0.8
Parameter in the exchange hole. Usually this is put to 1.0 or 0.8 [Edit on GitHub]
- SCALE_X: real = 1.00000000E+000
scales the exchange part of the functional [Edit on GitHub]