[Pw_forum] Relativistic semi-core potentials

[Fernando Nogueira]

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?

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
URL: http://nautilus.fis.uc.pt/~fnog/

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