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quantumespresso:フォノンの状態密度と分散 [2019/01/07 21:02] koudai [状態密度] |
quantumespresso:フォノンの状態密度と分散 [2019/01/07 21:02] koudai [分散] |
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実行はさきほどと同様。 | 実行はさきほどと同様。 | ||
- | $ matdyn.x < matdyn.freq.in > matdyn.freq.out | + | $ mpirun |
結果はSi.freqに出力される。 | 結果はSi.freqに出力される。 | ||
Line 145: | Line 145: | ||
$ plotband.x | $ plotband.x | ||
- | Input file > si.freq | + | Input file > Si.freq |
Reading 6 bands at 41 k-points | Reading 6 bands at 41 k-points | ||
Range: 0.0000 510.2482eV Emin, Emax > 0, 550 | Range: 0.0000 510.2482eV Emin, Emax > 0, 550 |