Spin components of spd site projections in PROCAR for collinear spin-polarized calculation

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tomic · #1 Post by **tomic** » Wed May 21, 2014 9:12 am

Dear All

I have performed the non-collinear spin-polarized calculation, but the PROCAR file is just showing one component of the spd site projections.

Is it the only possibility or there is some additional tag I could set to get the spin up and spin down components of the spd site projections?

Thanks and best regards

#2 Post by **admin** » Tue May 27, 2014 2:00 pm

for non-collinear magnetism, there exists no spin up and down. Instead,
for each KS-state there are 4 blocks of data (loop over all atoms), giving
the total charge, m_x, m_y and m_z decomposition for this particular state