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quantumespresso:respack [2020/07/28 02:52] koudai [インプットファイル] |
quantumespresso:respack [2020/07/28 03:01] koudai [インプットファイル] |
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Line 76: | Line 76: | ||
DAMP = 0.1d0, | DAMP = 0.1d0, | ||
MAX_STEP_LENGTH | MAX_STEP_LENGTH | ||
- | set_inner_window | + | set_inner_window |
- | Lower_inner_window | + | Lower_inner_window |
- | Upper_inner_window | + | Upper_inner_window |
flg_initial_guess_direc | flg_initial_guess_direc | ||
flg_BMAT | flg_BMAT |