[Pw_forum] error about band calculation with pw.x

Lu Yunhao phylyh at nus.edu.sg
Sun Mar 15 07:54:37 CET 2009

Dear All


I do a band calculation after scf, but the follow error always appear. I
search in google, It may come from vc-relax, however I never set that.



     total cpu time spent up to now is     69.56 secs


     per-process dynamical memory:   376.6 Mb


     Band Structure Calculation

     Davidson diagonalization with overlap

     c_bands:  1 eigenvalues not converged



     from  pzpotrf  : error #       151

      problems computing cholesky decomposition



     stopping ...




Best regards


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