[Pw_forum] WARNING: eigenvalues not converged in pw.x

wangjunjie1981_0 wangjunjie1981_0 at 163.com
Mon Feb 25 07:37:48 CET 2008


 
Dear pwscf users
  Recently i have such kind warnings. As people explained in the forum, this warning can be ignored, if it is not present in the last steps of self-consistency. But I got these warnings during NSCF calculations. Should I ignore them?
 
Output file

    total cpu time spent up to now is  10348.76 secs
 
     Band Structure Calculation

     Davidson diagonalization (with overlap)

   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     2 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
  .................
 
Thanks in advance,
Junjie Wang
 
 
 
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