wien2k:電場勾配
Differences
This shows you the differences between two versions of the page.
| Both sides previous revision Previous revision | Next revision Both sides next revision | ||
|
wien2k:電場勾配 [2020/04/02 14:40] koudai [SCF計算] |
wien2k:電場勾配 [2020/04/02 14:40] koudai [SCF計算] |
||
|---|---|---|---|
| Line 71: | Line 71: | ||
| $ run_lapw -ec 0.000001 -cc 0.000001 -i 100 -p -NI | $ run_lapw -ec 0.000001 -cc 0.000001 -i 100 -p -NI | ||
| </ | </ | ||
| - | * 構造最適化のフラグ-minをつけて厳しい収束条件で計算すると、いつまでたっても終わらなくなります。 | + | * 構造最適化のフラグ-minをつけて厳しい収束条件にすると、いつまでたっても計算が終わらなくなります。 |
| ===== 計算結果 ===== | ===== 計算結果 ===== | ||
wien2k/電場勾配.txt · Last modified: 2021/06/27 22:04 (external edit)
Page Tools
Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Share Alike 4.0 International
