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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