quantumespresso:フェルミ面
Differences
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 | ||
|
quantumespresso:フェルミ面 [2018/02/25 22:50] koudai [固有エネルギーの計算] |
quantumespresso:フェルミ面 [2018/02/25 23:01] koudai [pw.xによるSCF計算] |
||
|---|---|---|---|
| Line 20: | Line 20: | ||
| ntyp = 1 | ntyp = 1 | ||
| | | ||
| - | | + | |
| + | | ||
| + | | ||
| / | / | ||
| & | & | ||
| Line 29: | Line 31: | ||
| | | ||
| K_POINTS automatic | K_POINTS automatic | ||
| - | 8 8 8 0 0 0 | + | 6 6 6 1 1 1 |
| </ | </ | ||
| $ pw.x < Al.scf.in > Al.scf.out | $ pw.x < Al.scf.in > Al.scf.out | ||
| - | |||
| ====== 固有エネルギーの計算 ====== | ====== 固有エネルギーの計算 ====== | ||
quantumespresso/フェルミ面.txt · Last modified: 2021/07/12 23:39 by koudai
Page Tools
Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Share Alike 4.0 International
