[Pw_forum] Constrained U calculations

[Ali Tavana]

Dear all,

I want to calculate ab initio, the Hubbard U, used in the LSDA+U calculations. The linear response method mentioned in the Cococcioni et al.'s paper seems to be a non-standard method for QE. I mean specially the application of localized perturbation (Delta V) needs some thing to be done by other tools. So my question is that is there any other method of U calculation (non-LR) already examined with QE or is using the traditional LR method much simpler than what I supposed it to be?

Thanks,
Ali