[Pw_forum] scf and nscf and smearing
W. YU
yuwen_66 at yahoo.com
Wed Dec 29 03:30:31 CET 2004
Happy new year and thanks to Eyvaz, Stefano and Paolo.
Yes, I am doing phonon calculation and I found the
results would be different with or without the
smearing key word in the NSCF calculation. From the
explanation of Paolo, it seems I have to include it in
the NSCF process as well.
W. YU
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