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wien2k [2018/06/12 12:29] koudai |
wien2k [2023/04/23 17:00] koudai [準備] |
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====== 準備 ====== | ====== 準備 ====== | ||
+ | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
* [[WIEN2k: | * [[WIEN2k: | ||
- | ====== | + | ====== |
* [[WIEN2k: | * [[WIEN2k: | ||
- | 以下の計算の前に、必ずSCF計算を済ませておいてください。 | + | * [[WIEN2k: |
+ | * [[WIEN2k: | ||
+ | |||
+ | 以下で各種計算を始める前に、必ずSCF計算を済ませておいてください。 | ||
+ | |||
+ | ===== 電子状態計算 ===== | ||
* [[WIEN2k: | * [[WIEN2k: | ||
* [[WIEN2k: | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
- | ====== 各種計算 ====== | ||
+ | ===== 実験で観測できる物理量 ===== | ||
+ | |||
+ | * [[WIEN2k: | ||
+ | |||
+ | |||
+ | ===== バンドギャップの改善 ===== | ||
+ | |||
+ | * [[WIEN2k: | ||
* [[WIEN2k: | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
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+ | ====== 便利なツール ====== | ||
+ | |||
+ | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
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====== おまけ ====== | ====== おまけ ====== | ||
+ | * [[WIEN2k: | ||
* [[WIEN2k: | * [[WIEN2k: |