[Pw_forum] pseudopotntial for K

[Derek Stewart]

Dear Alvaro,

If there isn't one available already for QE, there is a 
Troullier-Martins PBE GGA pseudopotential for Postassium available in 
the fhi format:

http://charter.cnf.cornell.edu/psp_files/19-K.GGA.fhi

You should be able to convert it to UPF format using fhi2upf in the 
upftools directory of the QE distribution.

Best regards,

Derek

################################
Derek Stewart, Ph. D.
Senior Research Associate
** New Webpage **
http://sites.google.com/site/dft4nano/
250 Duffield Hall
Cornell Nanoscale Facility (CNF)
Ithaca, NY 14853
stewart (at) cnf.cornell.edu
(607) 255-2856



On 6/11/2010 11:14 AM, Álvaro Alves wrote:
> Hello users PWscf, someone can provide a PBE GGA pseudopotential for 
> potassium?
>
> Sincerely,
>
> Álvaro Alves
> Univesidade Federal Fluminense
> Niterói-Rio de Janeiro-Brasil
>
>
>
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