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<DIV>Dear Andrea，</DIV>
<DIV> </DIV>
<DIV> Thanks a lot for your reply! It works! </DIV>
<DIV> </DIV>
<DIV>Yours DF Shao </DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV> </DIV>
<HR style="HEIGHT: 1px; WIDTH: 210px" align=left color=#b5c4df SIZE=1>
<DIV><SPAN>dingfu.shao</SPAN></DIV>
<DIV> </DIV>
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<DIV><B>From:</B> <A href="mailto:dalcorso@sissa.it">Andrea Dal
Corso</A></DIV>
<DIV><B>Date:</B> 2014-09-26 15:29</DIV>
<DIV><B>To:</B> <A href="mailto:pw_forum@pwscf.org">pw_forum</A></DIV>
<DIV><B>Subject:</B> Re: [Pw_forum] Phonon band with spin-orbit
coupling</DIV></DIV></DIV>
<DIV>
<DIV>>From the q2r.f90 file:</DIV>
<DIV>! fildyn : input file
name (character, must be specified)</DIV>
<DIV>
!
"fildyn"0 contains information on the q-point grid</DIV>
<DIV>
!
"fildyn"1-N contain force constants C_n = C(q_n)</DIV>
<DIV>
!
for n=1,...N, where N is the number of q-points</DIV>
<DIV>
!
in the irreducible brillouin zone</DIV>
<DIV>
!
Normally this should be the same as specified</DIV>
<DIV>
!
on input to the phonon code</DIV>
<DIV>
!
In the non collinear/spin-orbit case the files </DIV>
<DIV>
!
produced by ph.x are in .xml format. In this case </DIV>
<DIV>
!
fildyn is the same as in the phonon code+the .xml </DIV>
<DIV>
!
extension.</DIV>
<DIV> </DIV>
<DIV>q2r reads the .xml files. You have only to add the .xml extension in
the</DIV>
<DIV>input fildyn name.</DIV>
<DIV> </DIV>
<DIV>HTH,</DIV>
<DIV> </DIV>
<DIV>Andrea </DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV>-- </DIV>
<DIV>Andrea Dal
Corso
Tel. 0039-040-3787428</DIV>
<DIV>SISSA, Via Bonomea
265
Fax. 0039-040-3787249</DIV>
<DIV>I-34136 Trieste
(Italy)
e-mail: dalcorso@sissa.it</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV>On Fri, 2014-09-26 at 08:25 +0800, Dingfu Shao wrote:</DIV>
<DIV>> Dear all,</DIV>
<DIV>> </DIV>
<DIV>> Usually, the phonon band can be obtained using q2r.x and matdyn.x
form</DIV>
<DIV>> *.dyn files.</DIV>
<DIV>> </DIV>
<DIV>> Recently, I did a phonon calculation with spin-orbit coupling. I
found the</DIV>
<DIV>> obtained filedyn was formated as " *.xml". Therefore, q2r.x can
not work.</DIV>
<DIV>> </DIV>
<DIV>> In such condition, how can I plot the phonon band?</DIV>
<DIV>> </DIV>
<DIV>> Yours</DIV>
<DIV>> </DIV>
<DIV>> DF Shao</DIV>
<DIV>> </DIV>
<DIV>> </DIV>
<DIV>> </DIV>
<DIV>> </DIV>
<DIV>> _______________________________________________</DIV>
<DIV>> Pw_forum mailing list</DIV>
<DIV>> Pw_forum@pwscf.org</DIV>
<DIV>> http://pwscf.org/mailman/listinfo/pw_forum</DIV>
<DIV> </DIV>
<DIV>_______________________________________________</DIV>
<DIV>Pw_forum mailing list</DIV>
<DIV>Pw_forum@pwscf.org</DIV>
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