[CPMD-list] Ag lat_par
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Fri Sep 6 11:32:32 CEST 2002
Dear Mehmet,
According to recent Ari's mail Vanderbilt+k-points
combination is not (yet?) allowed.
Please try increase cutoff energy in order to have
converged results.
Regards,
Eyvaz
Theoretical Physics Department
Moscow Steel and Alloys Institute
--- Mehmet Cakmak <cakmak at gazi.edu.tr> wrote:
>
> Dear All,
>
> I am having a problem to calculate
> the lattice parameter of Ag.
> Has anybody succesfully calculated the Ag
> lattice parameter using uspp?
>
> Second question is about the k points problem which
> is I am not able to put kpoints in the input file
> when I want to use the Vanderblit uspp. Any idea
> about it?
>
> thanks
> -mehmet
>
> _______________________________________________
> CPMD-list mailing list
> CPMD-list at cpmd.org
> http://www.cpmd.org/mailman/listinfo/cpmd-list
__________________________________________________
Do You Yahoo!?
Yahoo! Finance - Get real-time stock quotes
http://finance.yahoo.com
More information about the CPMD-list
mailing list