[QE-users] phonon problem

Kazume NISHIDATE nisidate at iwate-u.ac.jp
Wed Dec 11 15:52:17 CET 2024


Dear 2400169 at stu.neu.edu.cn <mailto:2400169 at stu.neu.edu.cn>,

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> 2024/12/11 22:47、2400169 at stu.neu.edu.cnのメール:
> 
> I encountered an issue while performing phonon calculations. When running the calculation, I received the following error message:
> 
>    Error in routine potinit (1):
>      starting and expected charges differ
> 
> 
> 
> 
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西館数芽
Kazume NISHIDATE Ph.D

Department of Systems Innovation Engineering,
Graduate School of Science and Engineering, Iwate University
4-3-5 Ueda, Morioka, Iwate, 020-8551 JAPAN
Phone:+81-19-621-6391
kazume.nishidate at gmail.com, nisidate at iwate-u.ac.jp
https://sites.google.com/site/nisidatelab/



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