how to constrain the value and direction in magnetic calculation

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chamn · #1 Post by **chamn** » Fri Feb 20, 2009 9:43 am

Dear vasp users :
I want to a constrained local moment calculation using vasp ,
the manual give the example about constraining the direction of spin moment , but how to constrian the value of spin moment ,so the calculation converges to a given spin moment ? I think noncollinear magnetism calculation can do this , but I am not sure. Can anyone give me a definite answer , or tell me how to do this kind of calculation?

#2 Post by **admin** » Fri Mar 06, 2009 4:23 pm

the magnitudes of the magnetic moments cannot be fixed, just the directions.