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: real = 0.00000000E+000 [angstrom]

Usage: RC_RANGE {real}

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: real = 1.20000000E+001 [angstrom]

Usage: RC_TAPER {real}

Atomic Cutoff Radius Cutoff for Tapering the screening term. [Edit on GitHub]