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Originally posted by º£Íå at 2010-06-17 19:20:49:
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42Â¥2010-07-01 09:34:55
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aylayl08(½ð±Ò+1):лл 2010-07-05 16:26:27
cenwanglai:¾«±Ù! 2010-07-05 20:24:17
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45Â¥2010-07-08 20:05:48
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zzy870720z(½ð±Ò+1):ллÌáʾ 2010-07-09 15:30:41
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Originally posted by jgq880125 at 2010-07-08 20:05:48:
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ÎÒÔÚ¼ÆËãBaTiO3ʱ£¬³öÏÖÕâÑùµÄ´íÎó the distance between some ions is very small
please check the nearest neigbor list in the OUTCAR file ÊÇʲôÒâ˼
POSCAR ÎļþÔ­×ÓλÖÃ
Ba  0   0   0
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Originally posted by gavinliu7390 at 2010-07-09 09:50:35:


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aylayl08(½ð±Ò+1):ллÌáʾ 2010-07-10 18:27:02
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Originally posted by jgq880125 at 2010-07-09 19:40:08:


OUTCAR ÊÇÕâÑùµÄ
ion  position               nearest    neighbor    ......
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zzy870720z(½ð±Ò+1):ллָµã 2010-07-20 19:17:49
core electrons of Ho<=>core + semicore electrons of Xe
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