[QE-users] Questions about modify the electron occupation and calculate the electron concentration

JingTing 1914025104 at qq.com
Tue Oct 18 09:06:20 CEST 2022


Hi everyone,

 I want to use QE to modify the electron occupation and calculate the electron concentration. There are tot_charge and occupations options, but the tutorial on how to set and finally calculate the electron concentration was not found. I want to ask whether the teachers have relevant computing experience to guide me~
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