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KSInversionAsymptotics
KSInversionAsymptotics
Section Calculation Modes::Invert KS
Type integer
Default xc_asymptotics_none
Asymptotic correction applied to vxc.
*Options*:
- xc_asymptotics_none:
Do not apply any correction in the asymptotic region.
- xc_asymptotics_sc:
Applies the soft-Coulomb decay of −1/r2+1 to vxc in the asymptotic region.
Source information
electrons/xc_ks_inversion.F90 : 164
call parse_variable(namespace, 'KSInversionAsymptotics', XC_ASYMPTOTICS_NONE, ks_inv%asymp)