Fixed spin moment of each atom
Posted: Sat Feb 21, 2009 3:03 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 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?
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?