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noncollinear spin density

Posted: Fri Nov 29, 2013 10:48 am
by ntuxi
Dear All

I find there is 4 parts in CHGCAR for a noncollinear calculation, what's the meaning of each part? (Total, and X, Y, Z respectively?) and how can I plot spin (charge) density in each direction?

Thanks

noncollinear spin density

Posted: Mon Dec 09, 2013 2:52 pm
by admin
1) yes
2) simply use the respective block of data in CHGCAR by deleting all
other spin-parts and use graphics tools which allow you to extract densities along a certain direction.