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Both sides previous revision Previous revision Next revision | Previous revision Next revision Both sides next revision | ||
quantumespresso:respack [2020/07/28 02:52] koudai [インプットファイル] |
quantumespresso:respack [2020/07/28 03:07] koudai [インプットファイル] |
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Line 77: | Line 77: | ||
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 | ||
Line 126: | Line 126: | ||
flg_calc_type | flg_calc_type | ||
& | & | ||
- | calc_ifreq | + | calc_ifreq |
ix_intJ_min = 0, !o: 交換積分の計算範囲 (a1 方向始点格子 )(calc_j3d のみ ) | ix_intJ_min = 0, !o: 交換積分の計算範囲 (a1 方向始点格子 )(calc_j3d のみ ) | ||
ix_intJ_max = 0, !o: 交換積分の計算範囲 (a1 方向終点格子 )(calc_j3d のみ ) | ix_intJ_max = 0, !o: 交換積分の計算範囲 (a1 方向終点格子 )(calc_j3d のみ ) |