[Wien] Bader charge analysis

shamik chakrabarti shamik15041981 at gmail.com
Sat Mar 4 08:40:23 CET 2023


Dear Wien2k users,
                               I want to calculate Bader charge for Li in
Li2S. In order to do so I have created case.inaim and rum x aim -up. After
that I have run extractaim_lapw  case.outputaim. However, I am not able to
identify the charge from the output files.
I am sending the  input & output files here with this email.

Looking forward to hearing from you.

with regards,


-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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