[Wien] Small problem with hybrid functionals
tran at theochem.tuwien.ac.at
tran at theochem.tuwien.ac.at
Mon Aug 5 16:07:08 CEST 2013
Dear WIEN2k users,
I mention to those who intend to use hybrid functionals with
WIEN2k_13, that they have to modify the last line of case.in0_grr (FFT
parameters and enhancement factor) such that this line is the same as in
case.in0. By default, in case.in0_grr the enhancement factor is 1, while
it is usually 2 in case.in0. There was no such problem with WIEN2k_12
since case.in0_grr was created manually from case.in0.
F. Tran
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