[XtalOpt-devel] Two types of atoms of the same Z possible?

Cohen, Ron rcohen at carnegiescience.edu
Mon May 13 14:37:32 PDT 2013


I would like to have Fe up and Fe down magnetic ions, types Fe1 and
Fe2, but when I try to type Fe1 2 for example in the composition
xtalopt it doesn't know how to interpret. Is there a way to have 2
types of Fe atoms? Thanks!

Sincerely,

Ron



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