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. ------------------------------------------ Wu, F College of Chemistry and Molecular Engineering Peking University ------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111030/0e2a210a/attachment.htm