[Pw_forum] PAW potential for C

Stefano de Gironcoli degironc at sissa.it
Wed Nov 9 23:32:44 CET 2011

Dear Chengyu Yang,
    Andrea Dal Corso is working on an extensive library of 
pseudopotentials and paw datasets .
    The project hosted by the QE-forge portal (http://qe-forge.org/) is 
named PSlibrary and can be reached directly at 
http://qe-forge.org/projects/pslibrary/ .
    It contains US and PAW input files for many elements including C.
best regards,
stefano de Gironcoli - SISSA and DEMOCRITOS

On 11/09/2011 09:46 PM, chengyu yang wrote:
> Dear Everyone,
>           I am looking for the paw potential for C atom with the PBE as
> XC function, can anyone tell me how can I get such a potential?
>           On the other hand, I googled the forum and somebody said the
> choice of potential has no react to the result of binding energy, does
> that mean whether I choose paw or normal potential, the result is the
> same?
>          Third problem, is the K point's setting has influence on the
> calculation of binding energy? I found on this forum Dr. Nicola said
> he would set the k point as gamma for all the calculations, but in all
> the paper I read they use settings as 1*1*13 or something like that.
>          Thank you. Best regards.
> Chengyu Yang
> MMAE,University of Central Florida, US
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