[Pw_forum] WARNING: eigenvalues not converged in pw.x
lan haiping
lanhaiping at gmail.com
Mon Feb 25 08:18:59 CET 2008
why not just search the previous posts about this problem ?
there are so many reports before.
2008/2/25 wangjunjie1981_0 <wangjunjie1981_0 at 163.com>:
>
> Dear pwscf users
> Recently i have such kind warnings. As people explained in the forum,
> this warning can be ignored, if it is not present in the last steps of
> self-consistency. But I got these warnings during NSCF calculations. Should
> I ignore them?
>
> Output file
>
> total cpu time spent up to now is 10348.76 secs
>
> Band Structure Calculation
>
> Davidson diagonalization (with overlap)
>
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 2 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> WARNING: 1 eigenvalues not converged
> .................
>
> Thanks in advance,
> Junjie Wang
>
>
>
>
>
> ------------------------------
> 已 经 超 过 100 万 台 电 脑 安 装 了 网 易 有 道 免 费 英 汉 词 典 , 点 击 此 处 可 以 快 速 下 载
> <http://event.mail.163.com/chanel/click.htm?from=NO_25&domain=163>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>
--
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20080225/1460fd3b/attachment.html>
More information about the users
mailing list