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The lattice constant(6.8306 A˚ ) of the primitive cell was calculated by using a plane-wave cutof fenergy of 400eV and a 6x6x6 Monkhorst Packset, which produced 28 symmetrized k points in the irreducible Brillouin zone of the primitivecellÕâ¾ä»°ÖеÄ28¸öKµãÊÇÔõô¼ÆËã³öÀ´µÄ£¿ÇóÖ¸µ¼¡£¡£¡£ [ Last edited by hwceng0816 on 2012-7-27 at 16:14 ] |
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hwceng0816
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hwceng0816
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dujunhui
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xin83lan
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