quantumespresso:フォノンの状態密度と分散
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quantumespresso:フォノンの状態密度と分散 [2019/01/07 19:54] koudai [dynamical matrixの計算] |
quantumespresso:フォノンの状態密度と分散 [2019/01/07 20:53] koudai [分散] |
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| Line 90: | Line 90: | ||
| <file - matdyn.phdos.in> | <file - matdyn.phdos.in> | ||
| &input | &input | ||
| - | flfrc = 'si.fc' | + | flfrc = 'Si.fc' |
| - | fldos = 'si.phdos' | + | fldos = 'Si.phdos' |
| asr = ' | asr = ' | ||
| dos = .true. | dos = .true. | ||
| Line 123: | Line 123: | ||
| &input | &input | ||
| asr = ' | asr = ' | ||
| - | flfrc = 'si.fc' | + | flfrc = 'Si.fc' |
| - | flfrq = 'si.freq' | + | flfrq = 'Si.freq' |
| q_in_band_form=.true. | q_in_band_form=.true. | ||
| / | / | ||
quantumespresso/フォノンの状態密度と分散.txt · Last modified: 2021/06/27 22:04 (external edit)
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