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quantumespresso:respack [2020/08/13 18:24] koudai [概要] |
quantumespresso:respack [2020/08/14 13:26] koudai [RESPACK 20200113 + Ubuntu 18.04] |
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$ sudo make install | $ sudo make install | ||
</ | </ | ||
- | * makeにやや時間がかかります | ||
- パスをとおします< | - パスをとおします< | ||
$ echo ' | $ echo ' | ||
Line 117: | Line 116: | ||
& | & | ||
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 | ||
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omega_max=200 | omega_max=200 | ||
+ | set logscale x | ||