wien2k:電場勾配
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wien2k:電場勾配 [2020/03/31 20:24] koudai |
wien2k:電場勾配 [2020/03/31 20:27] koudai [例：CaGa4] |
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| + | 通常のSCF計算を実行します | ||
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| + | < | ||
| + | $ init_lapw -b -numk 1000 -rkmax 7.5 | ||
| + | $ run_lapw -cc 0.0001 -ec 0.00001 -i 100 -p | ||
| + | </ | ||
| ====== 電場勾配 ====== | ====== 電場勾配 ====== | ||
wien2k/電場勾配.txt · Last modified: 2021/06/27 22:04 (external edit)
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