Dear Argaman, I am not an expert in this issue, but according to my opinion, as long as the last SCF cycle converges, you should not worry about the result. Besides, if this bothers you anyways, you may also want to try to change the "startingwfc" you use and see if it solves your problem.
Best, =================== Dr. Xiaochuan Ge (Giovanni) Center for Functional Nanomaterials Brookhaven national laboratory =================== On 12 January 2015 at 07:45, Uri Argaman <argam...@post.bgu.ac.il> wrote: > 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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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