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
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ntuxi
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noncollinear spin density
Last edited by ntuxi on Fri Nov 29, 2013 10:48 am, edited 1 time in total.
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admin
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noncollinear spin density
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.
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.
Last edited by admin on Mon Dec 09, 2013 2:52 pm, edited 1 time in total.