how to constrain the value and direction in magnetic calculation
Posted: 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?
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?