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Dear admin

Could you kindly answer this simple question once forever. What is the ordering of orbital moment components in PROCAR when SPIN-ORBIT coupling is included in the calculation. For such calculations PROCAR, looks like:

ion s py pz px dxy dyz dz2 dxz dx2 tot
1 0.000 0.000 0.000 0.000 0.395 0.039 0.117 0.039 0.397 0.987
2 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
tot 0.000 0.000 0.000 0.000 0.395 0.039 0.117 0.039 0.397 0.987
1 0.000 0.000 0.000 0.000 0.000 -0.002 -0.002 0.000 -0.001 -0.005
2 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
tot 0.000 0.000 0.000 0.000 0.000 -0.002 -0.002 0.000 -0.001 -0.005
1 0.000 0.000 0.000 0.000 0.001 0.000 0.001 0.001 0.000 0.003
2 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
tot 0.000 0.000 0.000 0.000 0.001 0.000 0.001 0.001 0.000 0.003
1 0.000 0.000 0.000 0.000 0.395 0.039 -0.117 0.039 0.397 0.752
2 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
tot 0.000 0.000 0.000 0.000 0.395 0.039 -0.117 0.039 0.397 0.753

Are the bolded lines indicate the Mx, My and Mz components of the magnetization. In particular, are the values indicated in green, blue and red referring to total-Mx, total-My and total-Mz, respectively. My spin quantization axis is as the default input [0 0 1]

Thanks

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