[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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