[Pw_forum] request help for gaas band structure

[Eyvaz Isaev]

Dear Mohsen, 

--- On Thu, 11/26/09, mohsen modaresi <modaresi.mohsen at gmail.com> wrote:
 
> Thanks for your answers

Welcome!

> I changed lattice parameter to 10.68 Bohr, and i attach
> again results, after this the results improved, but energy
> scale is not match. 

As you did not attach any figure I can not give any comment.

> I used this kind of pseudopotentials
> 'Scalar-Relativistic Calculation'.
> Is there any mistake?

Definitley not! 

> Another question :
> Where i can change 'spin-relativistic band
> structure', i did not inter relativistic feature in my
> pw input file.

Not spin-relativistic, but relativistic (or fully-relativistic). Hopefully you found the paper I mentioned. How to setup additional parameters for fully-relativistic (instead of scalar-relativistic) pseudopotentials please see example22. For this purpose you will need properly generated pseudopotentials, too. 

Bests,
Eyvaz.