[Pw_forum] projwfc.x meet error

[Gabriele Sclauzero]

Dear Jinxi,

    please include your affiliation in your next posts. 

Il giorno 07/dic/2011, alle ore 09.20, jinxi ha scritto:

>  
> Dear all:
> When I calculate PDOS using projwfc.x, I meet error like this:
>   Calling projwave ....
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%    
>      from davcio : error #        10
>      error while reading from file
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%    
>      stopping ...


This is pretty self explanatory: there has been an error while reading from file (in this case the wavefunctions, *.wfc* files), probably because the file(s) is (are) corrupted or because you ran the postprocessing on a different number of processors than for the previous pw.x calculation.

> But example08 and example16 are OK, I guess there's something wrong with my pseudopotential file.

I don't think you can blame your PP file. I think you should search for possible reasons giving this error in the user guide, the FAQ, and in the forum archives. 

>  
> how can i modify the file to pass reading wavefunctions?

I don't understand completely what you meant here. The wavefunctions are needed by projwfc.x, you can't run this calculation if you don't have them. The wavefunctions are automatically written by pw.x at the end of the run. In some cases, you may need to use the wf_collect option (see input description in Doc/).


HTH


GS

> many thanks!!
> jinxi
>  
>  
> 
> 
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne







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