[Pw_forum] erro in virtual.x for VCA 2 ( can I use splinelib.f90?)
degironc
degironc at sissa.it
Thu Jul 5 13:52:32 CEST 2007
the code was adapted to allow for interpolation but not tested as it was
not needed at that time.
If you test it and find that it is working properly we could remove the
error message... otherwise report about the problems.
Thank you,
Stefano de Gironcoli
SISSA and DEMOCRITOS
yukihiro_okuno at fujifilm.co.jp wrote:
> Dear PWscf Users and Developer.
>
>
> I see virtual.f90 and it is not implemented for
> interpolation for pseudo-potential yet.
>
> But the code are written like
>
> if(interpolate) then
> --------
> call dosplineint(....)
> ------
> endif
>
> and can I use /Module/splinelib.f90 for this dosplineint with
> slight modification of code ?
>
> Or , are there problem for such a spline interpolation for virtual
> crystal approximation?
> (Why stop to use dosplineint in virtual.f90 ?)
>
> Sincerely,
>
>
> Yukihiro Okuno.
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
More information about the users
mailing list