[CP2K-user] [CP2K:18527] The spin charge density is not zero

Moon Yue yuegrit at gmail.com
Thu Mar 9 06:44:20 UTC 2023

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).
But the density of state due to spin-up and spin-down is symmetric. 
It confused me. Could you please give me some 
suggestions ? 

Best Regards,
Yue Qiang

[image: 2.png][image: 1.png]

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