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 [2019/01/26 01:57] koudai [入門] |
wien2k [2020/03/28 16:54] koudai |
||
---|---|---|---|
Line 4: | Line 4: | ||
====== 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。 | + | 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: | ||
+ | |||
+ | |||
+ | ====== バンドギャップの改善 | ||
* [[WIEN2k: | * [[WIEN2k: | ||
Line 27: | Line 36: | ||
* [[WIEN2k: | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||
+ | * [[WIEN2k: | ||