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疏浅魅影

铜虫 (初入文坛)

[求助] 求助用Materials Studio 建晶体模型 已有1人参与

求助:
    我想用Materials Studio建立一个晶体,有晶体参数,有原子坐标,可是就是建不出来,总是跳出提示:1. Chosen position is within the specified tolerance (1.0?) of symmetry copy of itself.  Do you wish to continue adding an atom at this position.     2.Chosen position is within the specified tolerance(1.0?) of existing atoms.Do you wish to continue adding an atom at this position?     3.lose contact calculation failed: While searching for particles to exclude from the close-contact search, an infinite network was encountered.  You can resolve this by: reducing the contact distance; selecting the atoms you wish to operate on, or choosing a different exclusion method.  尝试了将坐标除以相应的晶胞参数,坐标平移可是依然无法建成。求解,谢谢!!
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自己选择的路就算是把脚磨烂也要走下去
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漫天飘雪

版主 (知名作家)

认真做事,踏实做人

【答案】应助回帖

感谢参与,应助指数 +1
建议帖子发送至第一性原理板块,http://muchong.com/bbs/forumdisplay.php?fid=291
http://blog.sciencenet.cn/u/pfliu89
2楼2016-09-06 16:01:41
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15764231329

新虫 (初入文坛)

楼主,这个问题是怎么解决的?我也出现这个问题了,求助
3楼2018-04-17 09:30:49
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