It's a known problem that has been around for some time. Paolo On Tue, Mar 28, 2017 at 4:02 PM, Giovanni Cantele <[email protected]> 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: [email protected] > Phone: +39 081 676910 > Skype contact: giocan74 > > ResearcherID: http://www.researcherid.com/rid/A-1951-2009 > Web page: http://people.fisica.unina.it/~cantele > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum
-- 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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
