ufo/test/14.2.2.4.unfold.yaml

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2023-09-27 19:24:41 +08:00
PrimativeCell:
- [ 1.548010265167714, -2.681232429908652, 0.000000000000000 ] # a
- [ 1.548010265167714, 2.681232429908652, 0.000000000000000 ] # b
- [ 0.000000000000000, 0.000000000000000, 5.061224103556595 ] # c
SuperCellMultiplier: [ 3, 1, 1 ]
PrimativeCellBasisNumber: [ 8, 8, 8 ]
AtomPositionInputFile: { FileName: "/home/chn/Documents/lammps-SiC/14/14.2/14.2.2/14.2.2.4/band.yaml", Format: "yaml" }
QPointDataInputFile: { FileName: "/home/chn/Documents/lammps-SiC/14/14.2/14.2.2/14.2.2.4/band.yaml", Format: "yaml" }
QPointDataOutputFile:
- { FileName: "test/14.2.2.4.result.yaml", Format: "yaml" }
- { FileName: "test/14.2.2.4.result.human-readable.yaml", Format: "yaml-human-readable" }
- { FileName: "test/14.2.2.4.result.zpp", Format: "zpp" }