[Pw_forum] Problem about the inputs of 'dos.x'

[vega lew]

I solve this problem by using the command 'wf_collect = .true.' in scf and
nscf calculation

vega

On Thu, Jan 15, 2009 at 4:35 PM, Gabriele Sclauzero <sclauzer at sissa.it>wrote:

> Dear Pan Deng,
>
>    are you doing a parallel calculation? If so, most probably you started
> dos.x with a
> different number of pools or processors with respect to the pw.x run.
>    When running any of the postprocessing tools which read output files of
> pw.x in the
> parallel version, you must use the same number of processors AND the same
> number of pools
> used for the pw.x run.
>
>   In principle the dos.x should not modify pw.x output files (i.e. those in
> prefix.save
> and the wavefunctions), since it simply needs to read them (you can checkd
> the time stamps
> of those files to see if they have been modified when dos.x was running).
>
> Regards
>
> GS
>
> 潘登 wrote:
> > Dear All,
> >
> >      I was trying to calculate the dos of BaNiAs, when I was running
> > the dos.x it gives the error message :
> >     from dos : error #         1
> >      not implemented
> >    I do not know what mistake I have made in my inputs.Would someone
> > point it out Please.
> > &inputpp
> >     outdir='/disk2/xgwan/tmp/'
> >     prefix='BaNiAs'
> >     fildos='BaNiAs.dos',
> >     Emin=0.0, Emax=25.0, DeltaE=0.1
> >  /
> > And still I ran the projwfc.x to get some projected dos after I ran
> > the dos.x.Does the results of the projwfc.x be affected by the failing
> > of dos.x?
> >
> > Thanks all.
> >
> > Pan Deng
> > Nanjing University
> > _______________________________________________
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> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> >
>
> --
>
>
> o ------------------------------------------------ o
> | Gabriele Sclauzero, PhD Student                  |
> | c/o:   SISSA & CNR-INFM Democritos,              |
> |        via Beirut 2-4, 34014 Trieste (Italy)     |
> | email: sclauzer at sissa.it                         |
> | phone: +39 040 3787 511                          |
> | skype: gurlonotturno                             |
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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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