[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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