Dear Respected Members
I want to calculate the FM and AFM ground state energy using interface of CASTEP. I build 2*2*2 supercell of ZnO (Hexagonal), containing 16 atoms Zn and 16 atoms O. Then I replaced two Zn atoms on Co atoms. Then to calculate AFM ground state energy, one Co atom is set UP and Other Co atom is set down. I want to know how to set spin up and spin down in the CASTEP.