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

yukihiro_okuno at fujifilm.co.jp yukihiro_okuno at fujifilm.co.jp
Tue Mar 9 13:22:16 CET 2010


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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