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).
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3The supercell structures are made by
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5% phonopy --wien2k -c NaCl.struct -d --dim="2 2 2"
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7This is also done for restoring disp.yaml that is used in the next step.
8FORCE_SETS is obtained by
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10% phonopy --wien2k -f NaCl-001.scf NaCl-002.scf
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12Phonon analysis is done such as
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14% phonopy --wien2k -c NaCl.struct -p band.conf
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