[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
> 
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