[Pw_forum] "eigenvalues not converged" warnings appear in one compilation but does not appear in another

Uri Argaman argamanu at post.bgu.ac.il
Mon Jan 12 13:45:04 CET 2015


Dear QE users and developers
I compile QE version 5.0.3 on cluster with Intel compilers and I got no
warnings in some PW calculation. When I run the same input in another
machine with another compilation I got the warning: "c_bands:  1
eigenvalues not converged" several times. I want to mention that this
warning did not appear in the last SCF cycle and there is no difference in
the energy. There is a very small difference in the stress. Do I have
something to worry about?

Uri Argaman
Ben-Gurion University of the Negev
Israel
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