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quantumespresso:フェルミ面

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quantumespresso:フェルミ面 [2018/11/03 15:08]
koudai [pw.xによるSCF計算]
quantumespresso:フェルミ面 [2018/11/03 15:08]
koudai [固有エネルギーの計算]
Line 44: Line 44:
    prefix = 'Al'    prefix = 'Al'
    calculation = 'nscf'    calculation = 'nscf'
-   outdir = './'+   outdir = './tmp/'
    pseudo_dir = './'    pseudo_dir = './'
 / /
quantumespresso/フェルミ面.txt · Last modified: 2021/07/12 23:39 by koudai