[Pw_forum] Band structure calculation

Dimpy Sharma dimpy.sharma at tyndall.ie
Mon Sep 7 15:42:54 CEST 2009


Hi Quantum espresso user,

I have been trying to perfom a band structute calculation in my system which is running in 32 processors, it is still running, however in the output I got the following information.

    Band Structure Calculation
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged

 I used 15 k points for my calculations. Can anybody give any suggesstion ?

Thanks

Dimpy
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