[Pw_forum] band_structure_alloys

[Gabriele Sclauzero]

You are not giving enough information to understand the problem. Please read this:
http://quantum-espresso.org/wiki/index.php/Bugs

Regards,

GS

Il giorno 08/dic/2010, alle ore 09.52, Battal Gazi YALÇIN ha scritto:

> Hello all, I want to calculate band structure of Gax(In1-x)As, (x =0.25, 0.50, 0.75) for x =0.25 I have done it, but the others the program don t work, and it give us following result;
> 
>  c_bands:2 eigenvalues not converged
> 
> &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&
>  from cdiaghg : error#    91
>  diagonalization (ZHEGV*) failed 
> &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&
> 
> I have never run into like this problem.
> 
> What can I do, I don t know, If you help me it will be very very good.
> 
> Thanks a lot
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne

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