[Wien] modified analyze_phonon file

Hamza Bouafia hamza.bfa at gmail.com
Mon Sep 27 18:32:56 CEST 2021


Dear Prof. P. Blaha,
With version 21.1, the precise positions of the atoms are added to
case.struct, so the analyze_phonon script (which works with PHONON code)
copies, to case.finM, the positions instead of the symmetry operations
I modified the script (the modified part is indicated by H. Bouafia) and I
tested it, the file is attached.
Best regards
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