This shows you the differences between two versions of the page.
Both sides previous revision Previous revision Next revision | Previous revision Next revision Both sides next revision | ||
wien2k [2019/07/11 18:08] koudai [準備] |
wien2k [2020/07/10 17:15] koudai [電子状態計算] |
||
---|---|---|---|
Line 8: | Line 8: | ||
- | ====== | + | ====== |
* [[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。 | + | 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: | ||
+ | |||
+ | |||
+ | ===== 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: | ||
+ | * [[WIEN2k: | ||