asked by Miguel Carvalho (2024/06/25 16:03)
Dear all,
I am trying to calculate XAS Linear dichroism. I have tried to use D3d Setting Zy_A with no success. We think that it is necessary to further split egpi and egsigma, but I have been unsuccessful in writing the akm of such symmetry. Does anyone know how to build such crystal field? There is something similar done in this paper: https://journals.aps.org/prb/pdf/10.1103/PhysRevB.100.205139
Thank you Miguel