[Pw_forum] Error in running GWW wrong data-file.xml file

[Dal Corso Andrea]

Thank you for reporting this and for your detailed explanations. 
It is due to a recent change in the phonon code that is not compatible
with GWW. It should now be fixed in the CVS version.

Andrea


On Tue, 2010-03-09 at 21:22 +0900, yukihiro_okuno at fujifilm.co.jp wrote:
> Dear PWSCF users and Dr Adrian.
> 
> I also met the same error in example02 in GWW
> and it comes in the head.x,  and I saw the program
> of GWW a little.
> 
> In the head.f90,
> 
> call ph_writefile('init',0)
> 
> and in ph_writefile ( and function called from ph_writefile,,, )
> 
> write XML file in *.phsave/data-file.xml
> 
> which is wrong for later reading ,,
> 
> In the program, later need  the data-file.xml
> 
> call ph_readfile('data_u',ierr)  and then inside the ph_readfile,
> 
> call read_u(dirname,ierr)
> 
> and in this function ,  the program read "data-file.xml."1" file
> 
> (where "1" will be the wave number index of phonon or others, I think )
> 
> and furthermore, the information in data-file.xml
> 
> is not enough for read_u (like TENSOR.INFO,,,,,,, ).
> 
> 
> The resent CVS GWW codes still contains the error in
> GWW_examples/example02.
> 
> Are there any correct sample input file for GW calculation  for GWW program
> ?
> 
> Sincerely,
> 
> Yukihiro Okuno.
> 
> 
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-- 
Andrea Dal Corso                    Tel. 0039-040-3787428
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34151 Trieste (Italy)               e-mail: dalcorso at sissa.it