wien2k
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wien2k [2020/03/20 16:19] – [入門] koudai | wien2k [2023/04/23 17:00] (current) – [準備] koudai | ||
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====== 準備 ====== | ====== 準備 ====== | ||
+ | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
* [[WIEN2k: | * [[WIEN2k: | ||
* [[WIEN2k: | * [[WIEN2k: | ||
- | ====== | + | ====== |
* [[WIEN2k: | * [[WIEN2k: | ||
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* [[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。 | + | 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。 |
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+ | ===== 電子状態計算 ===== | ||
* [[WIEN2k: | * [[WIEN2k: | ||
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* [[WIEN2k: | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
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+ | ===== 実験で観測できる物理量 ===== | ||
+ | |||
+ | * [[WIEN2k: | ||
- | ====== 各種計算 ====== | + | ===== バンドギャップの改善 |
+ | * [[WIEN2k: | ||
* [[WIEN2k: | * [[WIEN2k: | ||
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====== おまけ ====== | ====== おまけ ====== | ||
+ | * [[WIEN2k: | ||
* [[WIEN2k: | * [[WIEN2k: |
wien2k.1584688792.txt.gz · Last modified: 2021/06/27 21:59 (external edit)