SCREENING

Setup parameters for the tapering of the Coulomb/Exchange Screening in KDSO-D integral scheme, [Edit on GitHub]

Keywords

• RC_RANGE

• RC_TAPER

Keyword descriptions

RC_RANGE

Type: real
Default: 0.00000000E+000 [angstrom]
Usage: RC_RANGE {real}

Description: Range of cutoff switch function (tapering): 0.5*(1-TANH((r-r0)/RC_RANGE)), where r0=2RC_TAPER-20RC_RANGE.

[Edit on GitHub]

RC_TAPER

Type: real
Default: 1.20000000E+001 [angstrom]
Usage: RC_TAPER {real}

Description: Atomic Cutoff Radius Cutoff for Tapering the screening term.

[Edit on GitHub]