[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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