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cj4566

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[求助] pwscf中average.x的使用

想计算ZnO slab模型沿z轴的静电势分布，看了一下说明应该是先pp.x然后average.x，我按照格式写了average.x的输入文件，可是输出文件一直停在那里，谁有经验来指点一下啊，谢了！

pp.x的输入文件：
&inputpp
prefix='ZnO-new',
outdir="/home/n7388683/QE/tmp",
filplot = 'ZnO-new.pot'
plot_num= 11
/
average.x的输入文件：
1
ZnO-new.pot
1.D0
90
1
0.949

average.x的输出文件：
   Program AVERAGE v.5.0    starts on 27Sep2012 at 17:55:37

   This program is part of the open-source Quantum ESPRESSO suite
   for quantum simulation of materials; please cite
      "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
      URL http://www.quantum-espresso.org",
   in publications or presentations arising from this work. More details at
   http://www.quantum-espresso.org/quote.php

   Parallel version (MPI), running on    8 processors
   R & G space division:  proc/pool = 8
   Reading header from file  ZnO-new.pot

Info: using nr1, nr2, nr3 values from input

Info: using nr1s, nr2s, nr3s values from input

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