Navigation :

KSInversionAsymptotics

A - B - C - D - E - F - G - H - I - K - L - M - N - O - P - Q - R - S - T - U - V - W - X

Section Calculation Modes::Invert KS
Type integer
Default xc_asymptotics_none

Asymptotic correction applied to $v_{xc}$.

Options:

xc_asymptotics_none:
Do not apply any correction in the asymptotic region.
xc_asymptotics_sc:
Applies the soft-Coulomb decay of $-1/\sqrt{r^2+1}$ to $v_{xc}$ in the asymptotic region.

Source information

Featured in tutorials

Featured in testfiles