| Re: Open Core ( No.1 )|
- Date: 2017/02/27 16:04
- Name: dch
Is it true that the magnetic moment for f-state of Dy is set by difference between initial charges for up and down spin states and then, used for construction of f-state electron density (in manner similar to "Density Functional Theory Applied to 4f and 5f Elements and Metallic
Compounds" M.Richter in Handbook_of_Magnetic_Materials, vol. 13) which corrects EX potential?
Best regards, DCH
| Re: Open Core ( No.2 )|
- Date: 2017/03/02 13:51
- Name: T. Ozaki
In the manual of Ver. 3.8, the tutorial can be found:
The charge density contributed by f-states can be fully spin-polarized
along the z-axis toward upward or downward using the scheme.