[Wien] How to construct magnetic structure?

Aaron nkleof at gmail.com
Sat May 2 16:57:51 CEST 2009


Dear wien2k developers and users:

    How to set magnetic moment for every atom in wien2k? In order to
calculate exchange constant of a ferrimagnetic system, I need to do a series
of calculations with different magnetic structures, of which several may get
convergence problem because they are not ground state. So what should I do
to arrange up and down spin magnetic moment in system, and fix them during
calculation to get corresponding energy? I've read user-guide, but I did not
get familiar with FSM and AFM calculations. To my understanding, they seem
not adequate to my request, am I right?
    Any advice is welcome. Thank you.

Best regards,
Aaron
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