Dear Eyvaz<br>Thanks for your answers<br>I changed lattice parameter to 10.68 Bohr, and i attach again results, after this the results improved, but energy scale is not match.<br>I used this kind of pseudopotentials 'Scalar-Relativistic Calculation'.<br>
Is there any mistake?<br>Another question :<br>Where i can change 'spin-relativistic band structure', i did not inter relativistic feature in my pw input file.<br>Thanks<br>Mohsen Modaresi<br>Where i can change relativistic calculation for <br>
<div class="gmail_quote">On Thu, Nov 26, 2009 at 5:20 AM, Eyvaz Isaev <span dir="ltr"><<a href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div class="im"><br>
><br>
> But looking at your band structure it seems you deal with<br>
> spin-relativistic band structure for GaAs.<br>
<br>
</div>Sorry, relativistic band structure, of course. I have misprinted.<br>
<div><div></div><div class="h5"><br>
<br>
Bests,<br>
Eyvaz.<br>
<br>
> -------------------------------------------------------------------<br>
> Prof. Eyvaz Isaev,<br>
> Theoretical Physics Department, Moscow State Institute of<br>
> Steel & Alloys, Russia,<br>
> Department of Physics, Chemistry, and Biology (IFM),<br>
> Linkoping University, Sweden<br>
> Condensed Matter Theory Group, Uppsala University, Sweden<br>
> <a href="mailto:Eyvaz.Isaev@fysik.uu.se">Eyvaz.Isaev@fysik.uu.se</a>,<br>
> <a href="mailto:isaev@ifm.liu.se">isaev@ifm.liu.se</a>,<br>
> <a href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a><br>
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