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 [2020/07/02 19:28] koudai [計算方法] |
wien2k:tb-mbj交換ポテンシャル [2020/07/02 19:29] koudai [計算方法] |
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| $ run_lapw -p -i 1 -NI | $ run_lapw -p -i 1 -NI | ||
| </ | </ | ||
| - | - ブロイデン法の履歴を削除し、再度mBJの設定を完了させる< | + | - ブロイデン法の履歴を削除し、mBJの設定を完了させる< |
| $ rm *.broyd* | $ rm *.broyd* | ||
| $ init_mbj_lapw | $ init_mbj_lapw | ||
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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