Question on magnetic moment

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Jiaye Li · #1 Post by **Jiaye Li** » Wed Jun 11, 2008 5:18 pm

Hi

I am doing a calculation on a slab with spin. I wonder how to read the magnetic moment of a specific layer and the magnetic moment of the adsorbent?

Thanks in advance!

#2 Post by **admin** » Wed Jun 11, 2008 6:53 pm

the initial magentic moments have to be given for each atom in INCAR, in the same order as they appear in POSCAR. non-magnetic atoms have to be given a moment 0 explicitely. If you want to obtain the local moments written in OUTCAR please set LORBIT =11

Jiaye Li · #3 Post by **Jiaye Li** » Thu Jun 12, 2008 7:05 am

Thanks for your suggestion! I will try it.