[CP2K-user] [CP2K:18524] The spin charge density is not zero

[Moon Yue]

Dear CP2K  forum,
I have done a spin-polarized calculation about amorphous carbon.
During calculation, the multiplicity and magnetization  was not set. 
And diagonalization and smearing were also used.

The spin charge density due to spin-down is bigger (the blue color).
And I did a plot using density of states due to spin-up minus that due to 
spin-down,
but the density of states due to spin-up is more bigger. It confused me. 
Could you please give me some 
suggestions ? 
[image: 1.png][image: 2.png]


Best Regards,
Yue Qiang

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