I am performing a calculation on a periodic crystal. I am NOT setting ISPIN or NUPDOWN in my INCAR file. Do you know how I can check the spin multiplicity of the calculated ground state?
Thank you.
Checking the spin multiplicity of the calculated system
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mpoemis
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Checking the spin multiplicity of the calculated system
Last edited by mpoemis on Wed Sep 11, 2013 1:58 am, edited 1 time in total.
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alex
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Checking the spin multiplicity of the calculated system
It's written in the OSZICAR file at 'mag=XXX'
Cheers,
alex
Cheers,
alex
Last edited by alex on Wed Sep 11, 2013 8:52 am, edited 1 time in total.