[CP2K-user] SIRIUS + magnetic

W. Lai wei.... at gmail.com
Mon Oct 5 00:08:36 UTC 2020

Dear cp2k developers,

I am wondering if the magnetic contribution in SIRIUS has been 
implemented.  In the NiO.inp of regtest, the magnetic moments of Ni was set 
in the COORD block but magnetic moments didn't seem to be passed to SIRIUS 
as it printed zero magnetic moments for Ni after the 1st scf.

I was using cp2k-7.1 and SIRIUS-6.4.1.

Thanks, Wei
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