[Pw_forum] Unit cell problem

Stefano Baroni baroni at sissa.it
Fri Jun 4 10:48:06 CEST 2010

On Jun 3, 2010, at 10:26 PM, mohsen modaresi wrote:

> Dear Eyvaz,
> After increase of K-points, Ecut and nbnd for a unit cell with 16 atoms, DOS problem solved and i get the same DOS for two structure.
> Is there any relation between the bandstructure for these two situations?

yes: they are the same (if wattched the right way: the Brillouin zones are different)


> Sincerely yours,
> Mohsen Modaresi
> Ferdowsi University of Mashhad, Iran.
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Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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