[QE-users] [QE-Users]Bader charge analysis using USPP

Anson Thomas thomasanson53 at gmail.com
Tue Mar 29 12:38:33 CEST 2022


Dear QE-Users,

I wish to do a Bader charge analysis on my system. I have carried out the
calculations using USPP
I'm aware that Bader code requires the all-electron density which is
generated using PAW.
Is there any way to do it using USPP-generated data?? Any help would be
appreciated.


Thanks in advance

--
*Anson Thomas*
M.Sc. Chemistry, IIT Roorkee
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