[Pw_forum] different k point in scf and nscf

Amene Nouri a.nourmohammadi at yahoo.com
Fri Jul 23 07:28:04 CEST 2010

















Hello all
In scf calculation we choose a k point for sampling Brilouin Zone for example n1*n1*n1.
In next step in nscf calculations we choose another k point for example n2*n2*n2.
Do not we use the results of scf calculation in nscf calculation?
why k points can be different?
which results of scf calculation is used in nscf step?
Thanks in advance.



      
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