[Wien] SOC

Seyyed Amir Abbas Emami a.a.emami at birjand.ac.ir
Tue Sep 8 20:22:30 CEST 2015


​dear users

I am trying to calculate band structure in the presence of spin-orbit interaction.Now i have an elementary  question about this.I read mailing list but i could not find my answer. I am a little bit confused. 
1- Does the magnetization direction(specified in .inso) effect on band structure. If it is. which direction is appropriate?
2-Can the energy in the end of scf file be a good criteria for determination of easy axis?

Any suggestion will be appreciate in advanced
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