[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~
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20221018/60a03b99/attachment.html>
More information about the users
mailing list