| Re: Off-diagonal part of the Kohn-Sham potential ( No.1 )|
- Date: 2023/03/26 05:03
- Name: Naoya Yamaguchi
You can get them by outputting data stored in an array `Vpot_Grid_B` or `Vxc_Grid_B`, and you can modify `OutData.c` as follows.
`Vpot_Grid_B` and `Vpot_Grid_B` stores the real and imaginary part of the alpha-beta component, respectively.
| Re: Off-diagonal part of the Kohn-Sham potential ( No.2 )|
- Date: 2023/03/30 09:41
- Name: Hiroaki Tanaka <firstname.lastname@example.org>
- Dear Dr. Yamaguchi,
Sorry for my late response.
Thank you for the method to obtain the data!