This shows you the differences between two versions of the page.
Both sides previous revision Previous revision | Next revision Both sides next revision | ||
quantumespresso:フォノンの状態密度と分散 [2019/01/07 19:51] koudai [電子状態計算] |
quantumespresso:フォノンの状態密度と分散 [2019/01/07 19:51] koudai [電子状態計算] |
||
---|---|---|---|
Line 9: | Line 9: | ||
<file - Si.scf.in> | <file - Si.scf.in> | ||
& | & | ||
- | calculation=' | + | calculation = ' |
- | prefix=' | + | prefix |
- | pseudo_dir = ' | + | pseudo_dir |
- | outdir=' | + | outdir |
/ | / | ||
&system | &system | ||
Line 22: | Line 22: | ||
/ | / | ||
& | & | ||
- | conv_thr | + | conv_thr = 1.0d-12 |
/ | / | ||
ATOMIC_SPECIES | ATOMIC_SPECIES |