Spin Polarized Band Structure

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stucke

Spin Polarized Band Structure

#1 Post by stucke » Sun Apr 02, 2006 11:07 pm

Hello,
I'm trying to calculate a spin polarized band structure. I set ISPIN=2 and VOSKOWN=1 and the bands are exactly the same for each spin component. Is there another setting that I need do to this type of calculation? Thanks for any input.
Last edited by stucke on Sun Apr 02, 2006 11:07 pm, edited 1 time in total.
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Veronika
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Spin Polarized Band Structure

#2 Post by Veronika » Mon Apr 03, 2006 9:01 am

Probably you should try to set proper magnetic moments for each atom.
See also: http://cms.mpi.univie.ac.at/vasp/vasp/node92.html
Last edited by Veronika on Mon Apr 03, 2006 9:01 am, edited 1 time in total.
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