[Pw_forum] about epsilon

[Amin Babazadeh]

Dear Andrea
Thanks a lot for your clear answer.
I have another question.do you have a any idea for solving my problem i will
appreciate if you give me some idea.
can i find pseudopotential from other cods like abinit?I didn't work with
abinit or it's pseudopotentail  but i see in the espresso's mailing list
that some people use the abinit pseudopotentail.
thanks a lot

On 12/14/06, Andrea Ferretti <ferretti.andrea at unimore.it> wrote:
>
>
>
> >
> >
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> >     from epsilon : error #         1
> >     USPP are not implemented
> >
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> >
> >
> > i think this error says that the epsilon.x doesn't  work on US
> > pseudopotential
>
> this is exactly the point, you are right...
>
> > ------
> > IF ( okvan ) CALL errore('epsilon','USPP are not implemented',1)
> > ------
> > i don't know what okvan is?is this mean a spatial kind of USPP i should
> use
> > or it said that i can't use US pseudopotential.
>
> okwan is a logical variable which is .TRUE. if at least one of the
> pseudopotentials in the calculation is ultrasoft (or vanderbilt type)...
>
>
> > I also want to test it with non conserving potential bur
> unfortunately  i
> > couldn't find any pseudopotential for ZnS.
>
> unfortunately, while S does not need USPP, Zn is it quite hard in terms of
> cutoff energy, and therefore, after a brief check, it seems the pseudopage
> of espresso does not contain any norm-conserving pseudo for Zn.
>
> andrea
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-- 
AMIN
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