Linear Response U
Posted: Tue Nov 13, 2018 4:21 pm
Dear all,
I calculated the Hubbard U values according to Cococcioni's paper Phys. Rev. B 71, 035105.
https://doi.org/10.1103/PhysRevB.71.035105
But the results I got are always ~2eV larger than that in this paper. Have you ever tried this approach and know what is the reason?
I calculated the Hubbard U values according to Cococcioni's paper Phys. Rev. B 71, 035105.
https://doi.org/10.1103/PhysRevB.71.035105
But the results I got are always ~2eV larger than that in this paper. Have you ever tried this approach and know what is the reason?