wien2k:電場勾配
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| Both sides previous revision Previous revision Next revision | Previous revision Next revision Both sides next revision | ||
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wien2k:電場勾配 [2020/04/02 19:36] koudai [計算結果] |
wien2k:電場勾配 [2020/04/02 19:46] koudai [SCF計算] |
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| - 収束を厳し目にして、SCF計算を再実行します< | - 収束を厳し目にして、SCF計算を再実行します< | ||
| - | $ init_lapw -b -numk 2000 -rkmax 7.0 | + | $ init_lapw -b -numk 100 -rkmax 7.0 |
| $ run_lapw -ec 0.000001 -cc 0.000001 -i 100 -p | $ run_lapw -ec 0.000001 -cc 0.000001 -i 100 -p | ||
| </ | </ | ||
wien2k/電場勾配.txt · Last modified: 2021/06/27 22:04 (external edit)
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