[Pw_forum] c_bands: X eigenvalues not converged

WF kalamaillist at gmail.com
Sun Oct 30 12:50:54 CET 2011


Hello everyone,

         I am running a bands calculation based on a scf calculation already
done without problem. But after several days the output keeps prompting
"c_bands:  X eigenvalues not converged", where X = 3~8, and there are
already approximately 300 lines of such messages. Is it just in the process
or it meets problem and I must kill it? 

         Thanks very much.

 

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Wu, F

College of Chemistry and Molecular Engineering

Peking University

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