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

[yukihiro_okuno at fujifilm.co.jp]

Dear Prof. Andrea and PWSCF users.

Thank you your reply in mailing lists and  your plan to correct phonon
codes which
works with GWW.

By the way,  are there any version of Quantum Expresso which works GWW?
I want to try to use GWW.

Sincerely.


>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.