[Pw_forum] conversion of case.dyn.xml file to case.dyn file
vineetkumar.pandey at students.iiserpune.ac.in
Wed Oct 11 13:32:28 CEST 2017
I did the phonon calculation with SOC for AB2 type system, after we do
ph.x calculation , we do q2r.x calculation where it writes case.fc.xml file
which contains 2nd order force constant. can you suggest me, how can I get
case.fc.xml file into case.fc format as we get, when we do this calculation
without incorporating SOC(spin-orbit coupling)?
thanks in advance
Vineet Kumar Pandey
IISER PUNE, INDIA
Phone: +91 8853094275
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