[Pw_forum] request help for gaas band structure

duchl06 duchl06 at 163.com
Fri Nov 27 15:16:24 CET 2009

Hi Mohsen Modaresi
 you can set the energy zero point in the plotbands.x input file.
best regards!

在2009-11-26,"mohsen modaresi" <modaresi.mohsen at gmail.com> 写道:
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.
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.


> -------------------------------------------------------------------
> 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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