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wien2k:電場勾配 [2020/04/01 14:03] koudai [注意] |
wien2k:電場勾配 [2020/04/01 21:04] koudai [例:CaGa4] |
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< | < | ||
- | $ init_lapw -b -numk 10000 -rkmax 7.5 | + | $ init_lapw -b -numk 20000 -rkmax 7.5 |
$ run_lapw -ec 0.000001 -cc 0.000001 -i 100 -p | $ run_lapw -ec 0.000001 -cc 0.000001 -i 100 -p | ||
</ | </ |