[Pw_forum] possible filename inconsistency between ph.x and q2r.x ????

[Paolo Giannozzi]

It's a known problem that has been around for some time. Paolo

On Tue, Mar 28, 2017 at 4:02 PM, Giovanni Cantele
<giovanni.cantele at spin.cnr.it> wrote:
> Hi all,
>
> I’m trying a phonon calculation in non collinear case, when as specified in q2r.f90 header dynamical matrix files are written in xml format.
>
> Indeed, after successful run of ph.x I find several files like
> SOMENAME.dynX.xml, where X=1,2,…
>
> Unfortunately, the SOMENAME.dyn0 file HAS not xml extension and format.
>
> That means that q2r.x complains (and exits with error) because if I set therein
> fildyn=‘SOMENAME.dyn’
> then the error is
> file SOMENAME.dyn1 missing!
> whereas if I set therein
> fildyn=‘SOMENAME.dyn.xml'
> the error is
> file SOMENAME.dyn0.xml not found
>
> Maybe there could be a filename inconsistency for dyn0 file, as detailed here:
>>>>> q_points.f90
>   IF (ionode) &
>      OPEN (unit=iudyn, file=TRIM(fildyn)//'0', status='unknown', iostat=ierr)
>
>>>>> q2r.f90
> OPEN (unit=1, file=TRIM(fildyn)//'0'//post, status='old', form='formatted', &
>           iostat=ierr)
>
>
> Or maybe (and likely!) I’m doing something wrong. Can anybody help me in solving this issue?
>
> Thanks,
>
>     Giovanni
>
>
> --
>
> Giovanni Cantele, PhD
> CNR-SPIN
> c/o Dipartimento di Fisica
> Universita' di Napoli "Federico II"
> Complesso Universitario M. S. Angelo - Ed. 6
> Via Cintia, I-80126, Napoli, Italy
> e-mail: giovanni.cantele at spin.cnr.it
> Phone: +39 081 676910
> Skype contact: giocan74
>
> ResearcherID: http://www.researcherid.com/rid/A-1951-2009
> Web page: http://people.fisica.unina.it/~cantele
>
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222