wien2k:tb-mbj交換ポテンシャル
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wien2k:tb-mbj交換ポテンシャル [2020/07/06 14:26] koudai [収束しない場合] |
wien2k:tb-mbj交換ポテンシャル [2020/07/06 14:26] koudai [収束しない場合] |
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| ===== 収束しない場合 | ===== 収束しない場合 | ||
| - | - case.inm を開いて MSR1 -> MSR1 にして、mixing factorを0.1にする< | + | - case.inm を開いて MSR1 -> PRATT にして、mixing factorを0.1にする< |
| PRATT | PRATT | ||
| 0.10 mixing FACTOR for BROYD/PRATT scheme | 0.10 mixing FACTOR for BROYD/PRATT scheme | ||
wien2k/tb-mbj交換ポテンシャル.txt · Last modified: 2021/06/27 22:04 (external edit)
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