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quantumespresso:respack [2020/09/19 19:47] koudai [概要] |
quantumespresso:respack [2020/09/19 19:50] koudai [インプットファイル] |
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1 2 3 4 5 6 7 8 9 !o: N_write_wannierを指定したときの、計算したいワニエ軌道の番号 | 1 2 3 4 5 6 7 8 9 !o: N_write_wannierを指定したときの、計算したいワニエ軌道の番号 | ||
& | & | ||
- | Ecut_for_eps | + | Ecut_for_eps |
Num_freq_grid | Num_freq_grid | ||
N_CALC_BAND | N_CALC_BAND |