[Pw_forum] PAW+PBE0

[Layla Martin-Samos]

Dear Florence, Hybrids with PAW or US are corrently not implemented. It is
in the ROAD MAP and we already have some volunteers for the implementation,
but we will probalby need to wait 2013. Now you can just run with norm
conserving.

best regards

Layla

2012/8/27 florence liu <florenceliu86 at gmail.com>

> 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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