Dear Siesta-1.3p developers,
I am testing the spin polarized calculation by using FixSpin option. I always got the WARNING: Qtot and Tr[D*S] are not equal, in fact they are very different. However, with the same *.fdf and pseudopotential, I went back to version0.15, there are no such problems. Have you ever met this problem?
Best,
Xin
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