I was trying to calculate the polarization value of FE-ZB' Ga2O3 monolayer using VASP. I also tried with LCALCPOL tag in VASP, but it shows it is not an insulator, hence it will not be calculated. Anyone please help me calculating polarization value of the FE Ga2O3 monolayer. The side view of the Ga2O3 monolayer is attached.

More Naim Ferdous's questions See All
Similar questions and discussions