Dear Andrea? Thanks a lot for your reply! It works!
Yours DF Shao dingfu.shao From: Andrea Dal Corso Date: 2014-09-26 15:29 To: pw_forum Subject: Re: [Pw_forum] Phonon band with spin-orbit coupling >From the q2r.f90 file: ! fildyn : input file name (character, must be specified) ! "fildyn"0 contains information on the q-point grid ! "fildyn"1-N contain force constants C_n = C(q_n) ! for n=1,...N, where N is the number of q-points ! in the irreducible brillouin zone ! Normally this should be the same as specified ! on input to the phonon code ! In the non collinear/spin-orbit case the files ! produced by ph.x are in .xml format. In this case ! fildyn is the same as in the phonon code+the .xml ! extension. q2r reads the .xml files. You have only to add the .xml extension in the input fildyn name. HTH, Andrea -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Bonomea 265 Fax. 0039-040-3787249 I-34136 Trieste (Italy) e-mail: dalcorso at sissa.it On Fri, 2014-09-26 at 08:25 +0800, Dingfu Shao wrote: > Dear all, > > Usually, the phonon band can be obtained using q2r.x and matdyn.x form > *.dyn files. > > Recently, I did a phonon calculation with spin-orbit coupling. I found the > obtained filedyn was formated as " *.xml". Therefore, q2r.x can not work. > > In such condition, how can I plot the phonon band? > > Yours > > DF Shao > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140926/7fbbcf49/attachment.html
