[Pw_forum] request help for gaas band structure

[mohsen modaresi]

Dear Eyvaz
Thanks for your answers
I changed lattice parameter to 10.68 Bohr, and i attach again results, after
this the results improved, but energy scale is not match.
I used this kind of pseudopotentials 'Scalar-Relativistic Calculation'.
Is there any mistake?
Another question :
Where i can change 'spin-relativistic band structure', i did not inter
relativistic feature in my pw input file.
Thanks
Mohsen Modaresi
Where i can change relativistic calculation for
On Thu, Nov 26, 2009 at 5:20 AM, Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote:

>
> >
> > But looking at your band structure it seems you deal with
> > spin-relativistic band structure for GaAs.
>
> Sorry, relativistic band structure, of course. I have misprinted.
>
>
> Bests,
> Eyvaz.
>
> > -------------------------------------------------------------------
> > Prof. Eyvaz Isaev,
> > Theoretical Physics Department, Moscow State Institute of
> > Steel & Alloys, Russia,
> > Department of Physics, Chemistry, and Biology (IFM),
> > Linkoping University, Sweden
> > Condensed Matter Theory Group, Uppsala University, Sweden
> > Eyvaz.Isaev at fysik.uu.se,
> > isaev at ifm.liu.se,
> > eyvaz_isaev at yahoo.com
>
>
>
>
>
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