“Notebook”的版本间的差异
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（建立内容为“# band.conf ATOM_NAME = Na Te DIM = 3 3 3 MP = 30 30 30 FORCE_CONSTANTS = READ BAND = 0.000000 0.000000 0.000000 0.500000 0.000000 0.500000 0.625000 0.250000 0.…”的新页面） |
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# band.conf | # band.conf | ||
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ATOM_NAME = Na Te | ATOM_NAME = Na Te | ||
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DIM = 3 3 3 | DIM = 3 3 3 | ||
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MP = 30 30 30 | MP = 30 30 30 | ||
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FORCE_CONSTANTS = READ | FORCE_CONSTANTS = READ | ||
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BAND = 0.000000 0.000000 0.000000 0.500000 0.000000 0.500000 0.625000 0.250000 0.625000, 0.375000 0.375000 0.750000 0.000000 0.000000 0.000000 0.500000 0.500000 0.500000 0.500000 0.250000 0.750000 0.500000 0.000000 0.500000 | BAND = 0.000000 0.000000 0.000000 0.500000 0.000000 0.500000 0.625000 0.250000 0.625000, 0.375000 0.375000 0.750000 0.000000 0.000000 0.000000 0.500000 0.500000 0.500000 0.500000 0.250000 0.750000 0.500000 0.000000 0.500000 | ||
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BAND_LABELS = $\Gamma$ X U K $\Gamma$ L W X | BAND_LABELS = $\Gamma$ X U K $\Gamma$ L W X | ||
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BAND_POINTS = 501 | BAND_POINTS = 501 | ||
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BAND_CONNECTION = .TRUE. | BAND_CONNECTION = .TRUE. | ||
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NAC = .TRUE | NAC = .TRUE | ||
2022年8月9日 (二) 16:15的最新版本
- band.conf
ATOM_NAME = Na Te
DIM = 3 3 3
MP = 30 30 30
FORCE_CONSTANTS = READ
BAND = 0.000000 0.000000 0.000000 0.500000 0.000000 0.500000 0.625000 0.250000 0.625000, 0.375000 0.375000 0.750000 0.000000 0.000000 0.000000 0.500000 0.500000 0.500000 0.500000 0.250000 0.750000 0.500000 0.000000 0.500000
BAND_LABELS = $\Gamma$ X U K $\Gamma$ L W X
BAND_POINTS = 501
BAND_CONNECTION = .TRUE.
NAC = .TRUE