mirror of https://github.com/phonopy/phonopy.git
18 lines
645 B
Plaintext
18 lines
645 B
Plaintext
Si example with 'SYMMETRY = .FALSE.'. Normally disabling symmetry is not useful. So the reason this setting exists is for the test, which whould depend on each detailed reason.
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Usage:
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A set of supercells with displacements and its disp.yaml are created by
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% phonopy --dim="2 2 2" -d --nosym
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There are 12 displacements, which means 6 directions for each atom in the input unit cell. FORCE_SETS is created by
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% phonopy -f vasprun_xmls/disp-{001..012}/vasprun.xml
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Phonopy should be run with 'SYMMETRY = .FALSE.' or '--nosym'.
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% phonopy mesh.conf
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The result of the phonopy calculation may be compared with the example found in Si directory.
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