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jixiao0526

金虫 (小有名气)

[交流] VASP结果可视化 已有4人参与

我是用生成*。cell文件写的posca。生成的contcar该怎么可视化呢?
我用vesta看,发现本来20几个原子变成4个了。。。
有人知道是什么问题吗
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jixiao0526

金虫 (小有名气)

引用回帖:
7楼: Originally posted by llh2010 at 2012-03-23 17:20:51:
我用你贴出来的CONTCAR试了一下,可以正确显示24个原子。是不是你的VESTA有问题。

是的  我换了个版本的vesta就好了  谢谢你
9楼2012-03-23 17:42:52
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youzhizhe

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小木虫: 金币+0.5, 给个红包,谢谢回帖
fzx2008: 金币+2, 谢谢指教 2012-03-21 23:09:06
一般生成的CONTCAR是和POSCAR里面的格式一致的,不会出现原子数目上的差别。按照你的情况描述,请先检查POSCAR。
CONTCAR的可视化可以用VESTA。
微博http://weibo.com/10986069
2楼2012-03-21 22:47:23
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repent03

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小木虫: 金币+0.5, 给个红包,谢谢回帖
可能需要你把你的文件给贴出来大家才好帮你看
3楼2012-03-22 00:40:31
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jixiao0526

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4楼2012-03-22 09:53:35
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