[Pw_forum] Problem with pseudopotential
Stefano de Gironcoli
degironc at sissa.it
Fri Apr 1 15:12:07 CEST 2011
They look reasonable to me ...
but you can check that lattice parameter, interlayer surface relaxation,
or bond length in Cu2 dimer are ok to have some feeling that the
pseudopotentials are working properly.
On 03/31/2011 11:26 PM, Izaak Williamson wrote:
> Dear Stefano,
> I plotted the average charge and it seems reasonable to me for both the
> pseudopotentials. I am attaching both plots, it would be nice to get your input.
> Thank you.
> Pw_forum mailing list
> Pw_forum at pwscf.org
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