1This is the README file for NaCl phonon calculation with Wien2k output files. The ``NaCl-xxx.scf`` were obtained with P1 symmetry (no equivalent atoms were considered). 2 3The supercell structures are made by 4 5% phonopy --wien2k -c NaCl.struct -d --dim="2 2 2" 6 7This is also done for restoring disp.yaml that is used in the next step. 8FORCE_SETS is obtained by 9 10% phonopy --wien2k -f NaCl-001.scf NaCl-002.scf 11 12Phonon analysis is done such as 13 14% phonopy --wien2k -c NaCl.struct -p band.conf 15