Dear all
When I use 'relax ' to optimize the geometry of a doped system ,but the
total magnetization of AFM equal to 1 or -1 Bohr mag/cell ,but not to 0 .I
think it should equal to 0. So I want to know whether the result credible or
not ? If not credible ,what I should do to improve it ?
--
Best regards
Q.J.Wang
XiangTan University
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