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Lower spin scaling value leads to higher magnetic moment

Elk Users
os1
2017-11-28
2018-01-08
  • os1

    os1 - 2017-11-28

    Hello everybody,

    I have a case where a smaller ssxc (spin-scaling parameter) leads to a (little) higher magnetic moment than a higher ssxc.

    Is this a convergence issue, or could that be physically possible?

    Best regards and thanks in advance!

     
  • mfechner

    mfechner - 2018-01-08

    Dear os1,

    I think this is possible but without stating more information on your calculation and what you consider litle, it is hard to say.

    best regards
    Michael

     

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