[Pw_forum] pseudopotential conversion

[Silviu Zilberman]

Yes, I got different results with the PWSCF with "raw" and UPF formats. 
I am sending now my input files directly, not via the forum.
Silviu.

Francesco Antoniella wrote:

>Il gio, 2004-03-25 alle 18:41, Silviu Zilberman ha scritto:
>  
>
>>That is not the case for me, since I ran two identical calculations with 
>>PW code, just changing the format of the PP.
>>    
>>
>F.
>You mean that also in the PWSCF code you found a discrepancy between
>"raw" and UPF pseudo?
>Which version of the PWSCF code?
>  
>
>>Silviu.
>>    
>>
>
>
>_______________________________________________
>Pw_forum mailing list
>Pw_forum at pwscf.org
>http://www.democritos.it/mailman/listinfo/pw_forum
>  
>


-- 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Zilberman Silviu, PhD
Post doctoral research associate
 
213 Frick Laboratory, Department of Chemistry 
Princeton University
Princeton, NJ 08544
 
phone: 609-258-1834
fax:   609-258-6746
silviu at Princeton.EDU
Yahoo! Messenger ID: silviu_zilberman
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%