[Pw_forum] GWW-WANNIER part

Ngoc Linh Nguyen nnlinh at sissa.it
Mon Mar 22 10:09:22 CET 2010


>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from davcio : error #        99
>      error while reading from file
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> What is the reason ?
> I read several time in the fourom that the davcio error is originate from some problem like : (disk is full ,or ....) but i checked several time my tmp directories and also the my voulum of the disk, but everything is ok. I can not understand what  can I do 
>   
The davcio problem normally relates to reading from output files.
In your calculation, if you see in PW/matrix_wannier_gamma.f90, it is 
corrupted when reading the wavefunctions (wfc) of previous run (scf or 
nscf), and the wcf maybe get problem.
Therefore, I think it is better to rerun the scf and nscf before 
rechecking if GW work or not.

Good luck,
Linh



> Thanks a lot 
>
>
>
> Ali Kazempour
> Physics Department, Isfahn University of Technology
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>   



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 Nguyen Ngoc Linh, PhD Student
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