[Pw_forum] band_structure_alloys

Wed Dec 8 09:55:44 CET 2010

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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 
>
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