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/ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080522/d0882e81/attachment.htm
