14 lines
346 B
YAML
14 lines
346 B
YAML
SuperCellMultiplier: [4, 4, 1]
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SuperCellDeformation:
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- [ 1, 0, 0 ]
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- [ 0.5, 1, 0 ]
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- [ 0, 0, 1 ]
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AtomTranslation: [ 0, 0, 0.5 ]
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PrimativeCellBasisNumber: [ 8, 8, 8 ]
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PrimativePhonopy: primitive-phonopy.yaml
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PrimativeQpoint: primitive-band.hdf5
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SuperPhonopy: super-phonopy.yaml
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SuperQpoint: super-qpoints.hdf5
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OutputFile: unfold-output.zpp
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