[Pw_forum] Scf can converge, But Band can not converge

[lan haiping]

Hi,
you can make confirmation of your guess by checking
the outdir you set in the input file.
And please  give your affiliation.

regards,

On Sun, Dec 7, 2008 at 6:56 PM, Weiguang Chen <chenweiguang82 at gmail.com>wrote:

> Thank you all.
>  I have fixed the problem by restarting it completely( create a new
> fold) . I guess the temp files are changed in nscf running when I stop
> the calculation manually. So PWscf can not find the complete temp
> files when I run nscf again.
>
> ChenWeiguang
>
> On Sun, Dec 7, 2008 at 4:40 PM, vega lew <quantumdft at gmail.com> wrote:
> >
> > >      from davcio : error #        10
> > >      error while reading from file
> >
> > 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.
> >
> > hope helps
> >
> > vega
> >
> > On Sun, Dec 7, 2008 at 2:12 AM, Eyvaz Isaev <eyvaz_isaev at yahoo.com>
> wrote:
> >>
> >> Dear Weiguang,
> >>
> >> --- On Sat, 12/6/08, Weiguang Chen <chenweiguang82 at gmail.com> wrote:
> >>
> >> Actually, there are 2 issues from your question.
> >>
> >> 1.
> >> >      c_bands:  1 eigenvalues not converged
> >>
> >> This one is harmless, and it is not connected with the message you
> obtained. For this one please read Users Guide, Troubleshooting.
> >>
> >> 2.
> >> >      from davcio : error #        10
> >> >      error while reading from file
> >>
> >> As you can see the program  tells you that something is wrong with
> inut/output files, as corrupted files, full disk. etc.
> >> 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.
> >>
> >> Please provide your affiliation.
> >>
> >> Bests,
> >> Eyvaz.
> >>
> >> -------------------------------------------------------------------
> >> Prof. Eyvaz Isaev,
> >> Theoretical Physics Department, Moscow State Institute of Steel &
> Alloys, Russia,
> >> Department of Physics, Chemistry, and Biology (IFM), Linkoping
> University, Sweden
> >> Condensed Matter Theory Group, Uppsala University, Sweden
> >> Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
> >>
> >>
> >> -
> >>
> >>
> >>
> >> _______________________________________________
> >> Pw_forum mailing list
> >> Pw_forum at pwscf.org
> >> http://www.democritos.it/mailman/listinfo/pw_forum
> >
> >
> >
> > --
> >
> ==================================================================================
> > Vega Lew ( weijia liu)
> > PH.D Candidate in Chemical Engineering
> > State Key Laboratory of Materials-oriented Chemical Engineering
> > College of Chemistry and Chemical Engineering
> > Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
> >
> ******************************************************************************************************************
> > Email: vegalew at gmail.com
> > Office: Room A705, Technical Innovation Building, Xinmofan Road 5#,
> Nanjing, Jiangsu, China
> >
> ******************************************************************************************************************
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> >
>
>
>
> --
> Best Wishes
> ChenWeiguang
> _______________________________________________
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> Pw_forum at pwscf.org
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>



-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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