[CP2K-user] [CP2K:18514] the spin charge density is not zero when pdos is symmetric

[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 was not zero, but the density of states due to 
spin-up and 
spin-down electrons were symmetric. It confused me. Could you please give 
me some 
suggestions ? 
[image: 1.png][image: 2.png]

Best regards,
Yue Qiang

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/322812d4-134d-45d6-b452-9b4dc8fa07ban%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230303/368fef94/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 1.png
Type: image/png
Size: 49164 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230303/368fef94/attachment-0002.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 2.png
Type: image/png
Size: 326933 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230303/368fef94/attachment-0003.png>