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

[vega lew]

>      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
>
>
> -
>
>
>
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>



-- 
==================================================================================
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
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