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bianyuan2680

至尊木虫 (著名写手)

[求助] VASP INCAR文件的关键词疑问 已有1人参与

我看到网上有的算例,INCAR文件中的一个关键词不太一样,
ICHARG
ICHAGE
ICHARGE
是不是那个都可以?
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emilyoyang

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【答案】应助回帖

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bianyuan2680: 金币+20, ★★★★★最佳答案 2014-03-20 08:54:56
你看的帖子应该是是输入有误
参考manual正确的写法应该 ICHARG
http://cms.mpi.univie.ac.at/vasp/vasp/ICHARG_tag.html
2楼2014-03-19 17:06:43
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bianyuan2680

至尊木虫 (著名写手)

引用回帖:
2楼: Originally posted by emilyoyang at 2014-03-19 17:06:43
你看的帖子应该是是输入有误
参考manual正确的写法应该 ICHARG
http://cms.mpi.univie.ac.at/vasp/vasp/ICHARG_tag.html

谢谢
3楼2014-03-20 08:54:39
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