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Comment 1: Methods. The calculated lattice constant and smearing scheme should be included. Another important parameter is J value. Since the authors did a scan of U (0-6eV) for the doped atom, it would be better to include all calculated lattice constant in one Table for future reference. Õâ¸öÊÇʲôÒâ˼£¿ÎÒÓõÄÊÇ3*3 CeO2(111)×÷Ϊ»ùÌåÄ£ÐÍ£¬9²ãÔ×Ӳ㣬µ×²¿Èý²ã¹Ì¶¨¡£ Éó¸åÈËÊÇÏëÈÃÎÒËãº¬Õæ¿Õ²ãµÄ²ôÔÓ³¬°û¾§Ìå³£Êý£¿Õâ¸öÓÐʲôÒâÒ壿˳±ãÒª¸æËßËûÎÒÓõÄÊÇGussian smearing scheme? [ Last edited by cenwanglai on 2012-2-13 at 13:00 ] |
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