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quantumespresso:フェルミ面 [2018/02/25 22:50] koudai [固有エネルギーの計算] |
quantumespresso:フェルミ面 [2018/02/25 23:01] koudai [pw.xによるSCF計算] |
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ntyp = 1 | ntyp = 1 | ||
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$ pw.x < Al.scf.in > Al.scf.out | $ pw.x < Al.scf.in > Al.scf.out | ||
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====== 固有エネルギーの計算 ====== | ====== 固有エネルギーの計算 ====== |