MAGMOM and afm
Posted: Sun Jul 23, 2006 2:31 am
Dear all,
Can a MAGMOM have numbers with different signs,
referring to one single species in POSCAR?
So, if I have say 4 atoms of one element, can I write
in MAGMOM 2*2 2*-2, without having 2 and 2 atoms
in POSCAR, and hence having to add POTCAR at the
end of itself?
I hope the question is clear.
I have seen examples doing both, and I want to clarify.
Also..if in the MAGMOM of the above example of 4 atoms
I have say 2*2, 2*-2, 2, 0, 0 , what happens to the last
3 numbers?
Are they just ignored?
Thanks
Can a MAGMOM have numbers with different signs,
referring to one single species in POSCAR?
So, if I have say 4 atoms of one element, can I write
in MAGMOM 2*2 2*-2, without having 2 and 2 atoms
in POSCAR, and hence having to add POTCAR at the
end of itself?
I hope the question is clear.
I have seen examples doing both, and I want to clarify.
Also..if in the MAGMOM of the above example of 4 atoms
I have say 2*2, 2*-2, 2, 0, 0 , what happens to the last
3 numbers?
Are they just ignored?
Thanks