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Energy decomposition
Date: 2021/10/11 18:22
Name: Jingyang Wang   <jywang72@stanford.edu>

Dear OpenMX developers,

Is there any literature reference or theoretical background for the energy decomposition scheme used in openMX?

Thanks,
Jingyang
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Re: Energy decomposition ( No.1 )
Date: 2021/10/17 21:50
Name: T. Ozaki  <t-ozaki@issp.u-tokyo.ac.jp>

Hi,

The appendix B of the following paper:
https://doi.org/10.1103/PhysRevB.102.224106
summarizes the scheme used in OpenMX.

Regards,

TO
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