| Re: Hubbard U calculation ( No.1 )|
- Date: 2017/12/14 10:12
- Name: Chi-Cheng Lee <firstname.lastname@example.org>
- Hi Reza,
As far as I know, the calculation of self-consistency U has not been implemented in OpenMX.
But I think it should be fine to use a reasonable value of U for your calculation. According to my understanding,
the screened Coulomb interaction U is not a constant in reality and could have strong frequency dependence.
By treating U as a constant itself is already an approximation even though it could come from a self-consistency
scheme. So I wouldn't worry about the "logical" too much. The point is if the inclusion of U can give us new
physics to the studied systems and makes sense.