What is the unit of spin moment written in cp2k output file?

[subhadeep banerjee cy16d038]

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

[Krack Matthias]

Dear Subhadeep

 

If no unit is specified explicitly, you can assume atomic units like in this case for the spin moment, it is 1 μ_B.

 

Best

 

Matthias

 

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[subhadeep banerjee cy16d038]

Dear Prof. Matthias,
Thank you very much for the clarification.

Subhadeep

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