Dear all,
We are trying to calculate the band gaps with hybrid functionals (PBE0
and YS-PBE0) implemented in Wien2k-12.1. For learing these calculations,
we started with Si using indxc=13 in Si.in0, indxc=52 in Si.in0 grr and
alpha=0.25. We performed the calculations by following the
Hi,
If the 2nd and 3rd lines of case.inhf are
Tscreened (T) or unscreened (F)
0.165lambda
then it is the screened YS-PBE0 which is used. For the unscreened PBE0,
the 2nd line should be
Fscreened (T) or unscreened (F)
and the 3rd line absent. The description of
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