dear users 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 Best Wishes Vineet Kumar Pandey IISER PUNE, INDIA PINCODE-411008
Phone: +91 8853094275
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