Hi, <br>you can make confirmation of your guess by checking <br>the outdir you set in the input file.<br>And please give your affiliation.<br><br>regards, <br><br><div class="gmail_quote">On Sun, Dec 7, 2008 at 6:56 PM, Weiguang Chen <span dir="ltr"><<a href="mailto:chenweiguang82@gmail.com">chenweiguang82@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Thank you all.<br>
I have fixed the problem by restarting it completely( create a new<br>
fold) . I guess the temp files are changed in nscf running when I stop<br>
the calculation manually. So PWscf can not find the complete temp<br>
files when I run nscf again.<br>
<br>
ChenWeiguang<br>
<div><div></div><div class="Wj3C7c"><br>
On Sun, Dec 7, 2008 at 4:40 PM, vega lew <<a href="mailto:quantumdft@gmail.com">quantumdft@gmail.com</a>> wrote:<br>
><br>
> > from davcio : error # 10<br>
> > error while reading from file<br>
><br>
> I used to encounter this problem during the nscf calculation. I solve the problem by adding the " wf_collect=.true." in the scf input file. Then make sure the prefix and outdir the same as the scf during the nscf calculations.<br>
><br>
> hope helps<br>
><br>
> vega<br>
><br>
> On Sun, Dec 7, 2008 at 2:12 AM, Eyvaz Isaev <<a href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a>> wrote:<br>
>><br>
>> Dear Weiguang,<br>
>><br>
>> --- On Sat, 12/6/08, Weiguang Chen <<a href="mailto:chenweiguang82@gmail.com">chenweiguang82@gmail.com</a>> wrote:<br>
>><br>
>> Actually, there are 2 issues from your question.<br>
>><br>
>> 1.<br>
>> > c_bands: 1 eigenvalues not converged<br>
>><br>
>> This one is harmless, and it is not connected with the message you obtained. For this one please read Users Guide, Troubleshooting.<br>
>><br>
>> 2.<br>
>> > from davcio : error # 10<br>
>> > error while reading from file<br>
>><br>
>> As you can see the program tells you that something is wrong with inut/output files, as corrupted files, full disk. etc.<br>
>> So, you can restart your job. If the error still exists, check whether your hard disk is full or you do not share a filname.<br>
>><br>
>> Please provide your affiliation.<br>
>><br>
>> Bests,<br>
>> Eyvaz.<br>
>><br>
>> -------------------------------------------------------------------<br>
>> Prof. Eyvaz Isaev,<br>
>> Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia,<br>
>> Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden<br>
>> Condensed Matter Theory Group, Uppsala University, Sweden<br>
>> <a href="mailto:Eyvaz.Isaev@fysik.uu.se">Eyvaz.Isaev@fysik.uu.se</a>, <a href="mailto:isaev@ifm.liu.se">isaev@ifm.liu.se</a>, <a href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a><br>
>><br>
>><br>
>> -<br>
>><br>
>><br>
>><br>
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><br>
><br>
><br>
> --<br>
> ==================================================================================<br>
> Vega Lew ( weijia liu)<br>
> PH.D Candidate in Chemical Engineering<br>
> State Key Laboratory of Materials-oriented Chemical Engineering<br>
> College of Chemistry and Chemical Engineering<br>
> Nanjing University of Technology, 210009, Nanjing, Jiangsu, China<br>
> ******************************************************************************************************************<br>
> Email: <a href="mailto:vegalew@gmail.com">vegalew@gmail.com</a><br>
> Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing, Jiangsu, China<br>
> ******************************************************************************************************************<br>
><br>
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><br>
<br>
<br>
<br>
--<br>
</div></div>Best Wishes<br>
ChenWeiguang<br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a><br>