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 fix the value of spin moment of each atom ,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?
Fixed spin moment of each atom
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chamn
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Fixed spin moment of each atom
Last edited by chamn on Sat Feb 21, 2009 3:03 am, edited 1 time in total.
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admin
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Fixed spin moment of each atom
in the current version of vasp, the magnitudes of the local moments cannot be fixed. The total moment of the cell can be fixed by setting NUPDOWN (but that's not what you need, isn't it?)
Last edited by admin on Tue Mar 10, 2009 1:25 pm, edited 1 time in total.