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Posted: **Mon Apr 06, 2009 12:28 pm**

hi everyone!
i am a beginner to vasp, please tell me, how to calculate the magnetic moment,for Fe dimer, i have given the command MAGMOM=4*1,Rwigs =1.5,if this is sufficient to get the magnetic moment?.please tell me how to calculate it

Posted: **Fri Apr 10, 2009 4:44 pm**

please set ISPIN=2 and give a reasonable guess for the magnetic moment of each ion, for a dimer you need 2 (not 4) numbers. (read the info about the MAGMOM tag in the manual to learn about the input format).
For Fe, it would be appropriate to set 2*4
To obtain the local moments (written in OUTCAR) , please set LORBIT=11 in addition (if you use PAW potentials) or LORBIT=1 and RWIGS (otherwise)

Posted: **Tue Apr 14, 2009 9:37 am**

hello

thanks a lot for the answer