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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)

谢谢  问题解决了   是vesta的问题,我换了个版本就好了
8楼2012-03-23 17:41:07
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youzhizhe

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有志者

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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

金虫 (小有名气)


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

金虫 (小有名气)

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4楼2012-03-22 09:53:35
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