[Pw_forum] AFM not equal to 0

Q.J.Wang wangqj1 at 126.com
Tue Oct 27 14:37:42 CET 2009


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 ?



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Best regards
 
Q.J.Wang
 
XiangTan University 
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