[Pw_forum] scf

Álvaro Alves asafis at yahoo.com.br
Thu Aug 13 22:30:41 CEST 2009


Hello I am doing a scf calculation system and uses degauss = 0.003 and
needed change it paar 0001. With this new value, the calculation does
not converge. What may be happening? 


 Regards, Alvaro





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