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
critical_points_ang
Description: Binary data
critical_points
Description: Binary data
Li2S.inaim
Description: Binary data
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