HFXLR

Uses the HFXLR (long range) kernel [Edit on GitHub]

Keywords

• RCUT

• SCALE

Keyword descriptions

RCUT: real = 6.00000000E+000 [bohr]

Usage: RCUT 5.00

Value of lower range cutoff of interaction [Bohr] [Edit on GitHub]

SCALE: real = 1.00000000E+000

Usage: SCALE 0.25

Scaling parameter for HFX kernel. [Edit on GitHub]