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quantumespresso:respack [2020/08/13 18:24] koudai [概要] |
quantumespresso:respack [2020/08/14 13:19] koudai [インプットファイル] |
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Line 117: | Line 117: | ||
& | & | ||
Ecut_for_eps | Ecut_for_eps | ||
- | Num_freq_grid | + | Num_freq_grid |
N_CALC_BAND | N_CALC_BAND | ||
MPI_num_proc_per_qcomm = 2, !o: コミュニティ当たりのプロセス数。MPIを使用する際に指定 | MPI_num_proc_per_qcomm = 2, !o: コミュニティ当たりのプロセス数。MPIを使用する際に指定 | ||
Line 243: | Line 243: | ||
omega_max=200 | omega_max=200 | ||
+ | set logscale x | ||