[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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