[CPMD-list] Question about Pd usp pseudopotential

[Eyvaz Isaev]

Dear Imre,

Probably, you should decrease (or increase) "damp"  
(mixing parameter) in your AE input file.

Regards,
Eyvaz

Senior Scientific Researcher, PhD
Theoretical Physics Department
Moscow Steel and Alloys Institute
 
--- baki at chemres.hu wrote:
> Dear Everybody
> Have somebody some suggestion how can I generated
> USP pseudopotential for
> Pd. I have already tried to use the new version of
> USp-7-3.4 but I can not
> make  all electron calculation for this  element
> (For O,Cu and any other
> works well)
> Best
> Imre
> Bakó Imre
> MTA Kémiai Kutatóközpont, Kémiai Intézet
> 1525 Budapest Pf. 17
> Telefon 
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> CPMD-list at cpmd.org
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