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wien2k:電場勾配 [2020/03/31 20:31] koudai [例:CaGa4] |
wien2k:電場勾配 [2020/03/31 20:32] koudai [例:CaGa4] |
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< | < | ||
$ init_lapw -b -numk 1000 -rkmax 7.5 | $ init_lapw -b -numk 1000 -rkmax 7.5 | ||
- | $ run_lapw -cc 0.00001 -ec 0.00001 -i 100 -p | + | $ run_lapw -cc 0.0001 -ec 0.00001 -i 100 -p |
</ | </ | ||