[Pw_forum] band_structure_alloys

[Eyvaz Isaev]

Dear Nazari,

This is well known (and OLD) error, if you search the forum archive. Please take 
time to learn from the archive why this happens. Or see Troubleshooting in User 
Guides in /Doc. You will be surprised how many reasons there are for this error.
And see possible solution.

Please also give correct Subject for your message, as the error is not connected 
to any alloy calculation.

Bests,
Eyvaz.
-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com




________________________________
From: "nazari at iasbs.ac.ir" <nazari at iasbs.ac.ir>
To: PWSCF Forum <pw_forum at pwscf.org>
Sent: Wed, December 8, 2010 9:55:44 AM
Subject: Re: [Pw_forum] band_structure_alloys

 
Check the nbnd.
> 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 
>___________________________________________________________________________________________
>_ 
>
> 
> Bu e-posta, SAÜ CAWIS WebMail kullanılarak gönderilmiştir : 
> http://www.mail.sakarya.edu.tr/ 
> Sakarya Üniversitesi ile ilgili bilgi, haber ve duyurular için : 
> http://www.sakarya.edu.tr/ 
>___________________________________________________________________________________________
>_ 
>
> 
> 
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