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wien2k:scf計算 [2020/03/20 16:16] koudai [計算の設定の初期化] |
wien2k:scf計算 [2020/03/20 19:08] koudai [k点数の変更] |
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< | < | ||
- | $ run_lapw -cc 0.00001 -ec 0.00001 -i 100 | + | $ run_lapw -cc 0.0001 -ec 0.00001 -i 100 |
</ | </ | ||
Line 225: | Line 225: | ||
< | < | ||
$ rm *.broyd* | $ rm *.broyd* | ||
- | $ run_lapw -ec 0.00001 -cc 0.0001 | + | $ run_lapw -cc 0.0001 -ec 0.00001 |
</ | </ | ||