On Tue, 21 Nov 2006, Chu Chun FU wrote: | Dear Postnikov, | | I could but, I didn't since in principle the result should not depend on the | atom label ordering... | | Chu Chun
Dear Chu Chun, What I mean is, if you for instance always set initial spin for type 2 only: if your type 2 is Fe it converges to magnetic solution as it should be, and if your type 2 is Cu it doesn't manage to induce enough spin on Fe and converges to a non-magnetic solution. Andrei
