[Pw_forum] which pseudopotential are LDA+GGA
Stefano de Gironcoli
degironc at sissa.it
Tue Jun 2 10:53:52 CEST 2009
NO pseudopotential is using both LDA and GGA.
pseudopotentials are genererated according to ONE given XC functional
and should be used with it.
the functional used in the generation is written clearly in the
pseudopotential file (UPF) and often is also clearly specified in the
pseudopotential name.
stefano
Padmaja Patnaik wrote:
> Dear all
>
> how to know which pseudopotentials are using both LDA and GGA? Its not
> mentioned clearly in all files.
>
> Regards
>
> Padmaja Patnaik
> Research Scholar
> Dept of Physics
> IIT Bombay
> Mumbai, India
>
>
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