Dear all, I'd like to simulate the band structure of CeCo4Sb12. Previous works(pwscf or vasp) show that Ce is in the Ce3+ state, and the f-electron can be frozen in the core. But it seems like that the ATOM software always put the f-electron of Cerium in the valance level. How to fix it?
best regards, Huiyuan Geng Harbin Institute of Technology
