Yes, "runafm" cannot be ran with SOC, so the calculation could slightly shift 
to a magnetic state, but if you put more strict conditions the magnetic moment 
should tend to cero


<> en nombre de ?? <>
Enviado: sábado, 7 de noviembre de 2015 06:58 a. m.
Para: wien
Asunto: [Wien] double degeneration in AFM configurations

Dear All,
I want to calculate a structure with perfect AFM configuration.
When I add spin-orbit coupling, I think, the band-structure should be double 
degenerate anywhere because of its perfect AFM configuration. But my 
calculation band-structure split at some place. Its total magnetic moment is 
not perfect zero but 0.01.
So, do you have some motheds to force the results to perfect AFM configuration? 
I read the UG and find AFM calculations, but runafm_lapw does not work with 
spin-orbit coupling.
Thank you very much!

Wang Di
Nanjing University

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