[CPMD-list] Goedecker pseudo-potentials

Keta Jones ketajone at yahoo.com
Wed Oct 2 15:51:49 CEST 2002


Dear Eyvaz,
It may not be.But I am a pure newbie to this field.
I just want to know how handle these things.Once I had
  used the VDW, but failed to run my programme.So I
started using GPP.Once I got familiar with CPMD I will
go for the option of best choice.Thanks for your
advice.I will do welcome such things in future.

regards
keta
--- Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote:
> Dear Keta,
> 
> It is available from CPMD site. Please see /contrib
> directory.
> Are you sure that a PsP generated using Goedecker
> code
> is better than Vanderbilt's one?
> 
> Regards,
> Eyvaz Isaev, PhD
> Theoretical Physics Department
> Moscow Steel and Alloys Institute
>  
> --- Keta Jones <ketajone at yahoo.com> wrote:
> > Can anybody suggest how do get the Goedecker
> > pseudo-potentials program and  files.
> > 
> > Thanks in advance,
> > 
> > 
> > 
> > =====
> > Keta
> >
>
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=====
Keta
**************************************************************************************

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