<BR> <BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid"> <div>Thank you for your reply, i have searched this question in pw_forum, but i can not find the corresponding answers about it, so i submit the question to the forum.</div> <div> </div> <div>Junjie Wang</div> <div> <BR><BR>why not just search the previous posts about this problem ?<BR>there are so many reports before.<BR><BR><BR>2008/2/25 wangjunjie1981_0 <WANGJUNJIE1981_0@163.COM>:<BR><BR>><BR>> Dear pwscf users<BR>> Recently i have such kind warnings. As people explained in the forum,<BR>> this warning can be ignored, if it is not present in the last steps of<BR>> self-consistency. But I got these warnings during NSCF calculations. Should<BR>> I ignore them?<BR>><BR>> Output file<BR>><BR>> total cpu time spent up to now is 10348.76 secs<BR>><BR>> Band Structure Calculation<BR>><BR>> Davidson
diagonalization (with overlap)<BR>><BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 2 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not
converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> WARNING: 1 eigenvalues not converged<BR>> .................<BR>><BR>> Thanks in advance,<BR>> Junjie Wang<BR>><BR>><BR>><BR>><BR>><BR>> ------------------------------<BR>> ? ? ? ? 100 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?<BR>> <HTTP: click.htm?from="NO_25&domain=163" chanel event.mail.163.com><BR>> _______________________________________________<BR>> Pw_forum mailing list<BR>> Pw_forum@pwscf.org<BR>>
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