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

[Gabriele Sclauzero]

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
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> 

-- 


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