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wien2k:scf計算 [2023/04/23 19:46] koudai [CIFファイルからstructファイルを生成する方法] |
wien2k:scf計算 [2023/04/23 19:47] (current) koudai [SCF計算の実行] |
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:FER : F E R M I - ENERGY(TETRAH.M.)= | :FER : F E R M I - ENERGY(TETRAH.M.)= | ||
- | $ grep ": | + | $ grep ": |
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:GAP (global) | :GAP (global) |