[CP2K-user] [CP2K:20242] What is the unit of spin moment written in cp2k output file?

subhadeep banerjee cy16d038 cy16d038 at smail.iitm.ac.in
Mon May 27 06:54:31 UTC 2024


Dear users,
Recently, I performed an SCF calculation in cp2k with one extra electron 
using unrestricted Kohn-Sham condition. In the output file, net charge and 
spin moment are printed as follows. Since the unit of the spin moment is 
not printed in the output file, I am confused if it is in the SI unit (B.m) 
or in the Gaussian unit (erg/G). Please help me to get the unit of spin 
moment printed in the cp2k output file.

Thanks in advance,
Subhadeep

[image: Screenshot from 2024-05-27 12-10-36.png]

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