I can calculate spontaneous polarization of a undoped perovskite structure using vasp. For that I used the LCALCPOL and DIPOL tags. But when I dope Iron on it, I can't get any values of ionic and electronic moments in the OUTCAR file. By same procedure I can get spontaneous polarization of a undoped structure. Should I need any additional tags?

More Mohammad Nisar's questions See All
Similar questions and discussions