[Wien] fsm -m 0.0 and AFM

白宇 baiyu1982 at ss.buaa.edu.cn
Wed Jul 18 04:44:09 CEST 2007


Dear users:
  I want to caculate the energy differece between AFM and FM structures,it's defect induced magnetism, so the origin of the magnetism is not clear.(my limited knowledge).
  I want to fix the moment in the supercell to 0, and caculate the energy difference. Is it a feasible solution?


More information about the Wien mailing list