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All the structures are relaxed until self-consistent forces are smaller than 0.02 eV/Å. Methfessel¨CPaxton method24 with 0.01 eV level smearing is used. ³õѧVASP£¬ÓÐÄÄλ´óϺָµãÒ»ÏÂÕâ¾ä»°Ö¸µÄÉèÖõÄÄĸö²ÎÊý [ Last edited by zzy870720z on 2012-2-26 at 16:49 ] |
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7Â¥2012-03-02 10:58:21
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