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
MAGMOM and afm
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MAGMOM and afm
1) the symmetry-check of vasp.4.6 identifies atoms with antiparallel moments as symmetry-inequivalent, even if you do not explicitely give so in POSCAR.
2) yes, all additional input numbers of MAGMOM are ignored.
2) yes, all additional input numbers of MAGMOM are ignored.
Last edited by admin on Mon Jul 24, 2006 11:38 am, edited 1 time in total.