Symmetrization of the occupation matrices for DFT+U with k-point symmetries.
In order to get good results for DFT+U calculations with k-point symmetries, it is important to symmetrize the density matrix. For spherical harmonics, this is easily done as a rotated spherical harmonics is a linear combination of the spherical harmonics.
The code ow automatically symmetrizes the occupation matrices if k-point symmetries or density symmetrization are activated.
Symmetrization of the occupation matrices for DFT+U with k-point symmetries.