Dear Amene Nouri :
Do you mean that in nscf step the calculation starts fom the density
> obtained in scf step and the eigenvalues are calculated just in one
> iteration?
>
Yes, I think so.____________________________________ Hui Wang School of physics, Nankai University, Tianjin, China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100724/2a7a832a/attachment.htm
