Re: Hubbard U calculation ( No.1 ) 
 Date: 2017/12/14 10:12
 Name: ChiCheng Lee <cclee.physics@gmail.com>
 Hi Reza,
As far as I know, the calculation of selfconsistency 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 selfconsistency 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.
Cheers, ChiCheng

