wien2k:スピン軌道相互作用
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wien2k:スピン軌道相互作用 [2020/07/10 17:53] koudai [手順] |
wien2k:スピン軌道相互作用 [2020/07/10 18:13] koudai [手順] |
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| $ init_so_lapw | $ init_so_lapw | ||
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| + | * 非磁性体の場合は何を聞かれてもEnterを押すだけで良いです | ||
| + | * 入力ファイル case.inso ができます | ||
| - スピン軌道相互作用を含んだSCF計算を実行します< | - スピン軌道相互作用を含んだSCF計算を実行します< | ||
| $ run -p -cc 0.0001 -ec 0.00001 -i 100 -so | $ run -p -cc 0.0001 -ec 0.00001 -i 100 -so | ||
wien2k/スピン軌道相互作用.txt · Last modified: 2021/07/21 02:11 by koudai
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