This thread is locked.Only browsing is available.
Top Page > Browsing
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cube
Date: 2016/12/31 23:52
Name: chen

Hi Prof. Ozaki,

When I performed OpenMX calculations and the calculations are finished, I obtained the output file *.v0.cube and *.vhart.cube. According to the user-guide, they contain the information of the Hartree potential and the Kohn-Sham potential. I am just wondering if the unit of potential in the above-mentioned output file is eV or Ry or Hartree?

Thanks a lot.
メンテ
Page: [1]

Re: What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cube ( No.1 )
Date: 2017/01/03 18:01
Name: Artem Pulkin

Those are in Hartree units AFAIK.
メンテ

Page: [1]