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/> > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
