[Pw_forum] Relativistic semi-core potentials

[Stefano de Gironcoli]

Fernando Nogueira wrote:
> Dear pwscf users,
>
> I have been trying to generate a relativistic ultrasoft potential for 
> Cr that includes semi-core electrons. So far I had no sucess: I keep 
> getting the same error message about a discrepancy in the number of 
> pseudo and all-electron electrons. Am I doing something wrong? Is this 
> combination available through the atomic code?
without seeing your input is quite difficult to have any ideas about 
your problem...
stefano

> Thanks!
>
> Fernando
>
>
> Fernando Nogueira
> Centre for Computational Physics and
> Physics Department
> University of Coimbra
> Rua Larga
> 3004-516 COIMBRA
> PORTUGAL
>
> Phone: + 351 239410114
> Fax: + 351 239829158
> email: fnog at teor.fis.uc.pt <mailto:fnog at teor.fis.uc.pt>
> URL: http://nautilus.fis.uc.pt/~fnog/ <http://nautilus.fis.uc.pt/%7Efnog/>
>
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