[Pw_forum] PAW+PBE0
florence liu
florenceliu86 at gmail.com
Mon Aug 27 04:55:31 CEST 2012
Dear all,
I am trying to perform a PBE0 calculation with PAWs in QE 5.0. However, I
get the error messages
task # 2
from setup : error # 1
HYBRID XC not implemented for USPP or PAW
and
task # 6
from setup : error # 1
HYBRID XC not implemented for USPP or PAW
Can any body confirm that this combination is indeed not implemented? Or is
this error rather a results of some mistakes in my input files? If the
combination PBE0+PAW is not possible in the current version of QE, are
there any possibilities to use any hybrid functional together with PAW?
best wishes,
F. Liu
TU Munich
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