This thread is locked.Only browsing is available.
Top Page > Browsing
How to calculate charge density and deformation charge density with openmx
Date: 2018/10/11 09:17
Name: xm

Dear Taisuke Ozaki,
I recently try to calculate the charge density with OpenMX. I read the Analysis of difference charge density induced by the interaction, but I still don't understand how to calculate charge density, deformation charge density and Election Localization Function (ELF). Could you show me how to calculate them with OpenMX?
Best regards,
Page: [1]