[Pw_forum] request help for gaas band structure

mohsen modaresi modaresi.mohsen at gmail.com
Thu Nov 26 00:42:32 CET 2009


Hi
I do this again with another input files, and gain this band structure, the
dereference are omited but energy scale is not true, I there any problem in
my calculations?
Thanks

Mohsen Modaresi

On Thu, Nov 26, 2009 at 12:07 AM, Davide Ceresoli <ceresoli at mit.edu> wrote:

> mohsen modaresi wrote:
> > Dear Q.E users
> > I try to plot GaAs band structure, I follow this procedure
> > 1) I run pw.x with gaasspw.in <http://gaasspw.in>
> It's always a good idea to look at your structure with XCrysden.
> GaAs is diamond, not rock-salt. Also check your lattice spacing.
>


>
>
> Davide
>
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