[Pw_forum] band_structure_alloys

[Battal Gazi YALÇIN]

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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