quantumespresso:フェルミ面
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quantumespresso:フェルミ面 [2018/02/25 23:06] koudai [pw.xによるSCF計算] |
quantumespresso:フェルミ面 [2018/11/03 15:06] koudai [pw.xによるSCF計算] |
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| ntyp = 1 | ntyp = 1 | ||
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| / | / | ||
| & | & | ||
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| $ pw.x < Al.fs.in > Al.fs.out | $ pw.x < Al.fs.in > Al.fs.out | ||
| - | + | ||
| - | SCF計算の段階でk点数が十分取れるなら、SCF計算もoccupations = ' | + | |
quantumespresso/フェルミ面.txt · Last modified: 2021/07/12 23:39 by koudai
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