[Pw_forum] different k point in scf and nscf

Amene Nouri a.nourmohammadi at yahoo.com
Sat Jul 24 07:23:51 CEST 2010






Dear xirainbow
Thanks for explaining. 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, or there are iterations in nscf too?
 
I appreciate your help.


      
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