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mengsk 发表于 2008-5-26 10:23

收到SIESTA了

太好了，今天终于收到回信了，可以开始摸索着用了，软件上介绍说可以算带结构，请问能否算DOS? 谢谢！

mengsk 发表于 2008-5-27 07:29

回复 1# mengsk 的帖子

请问siesta装在linux的哪个版本中最好？谢谢！

jiachem 发表于 2008-5-31 18:48

Do not trust this one

I do not think its accuracy can make you satistied for most system concerned by chemists

mengsk 发表于 2008-6-5 08:58

Why? Show me, please!

jiachem 发表于 2008-6-17 06:54

I have done lots of computations by it and compared results of VASP. Sometimes, SIESTA is quite misleading

mengsk 发表于 2008-6-17 08:33

Thank you! I will consider it with discretion.

jiachem 发表于 2008-6-22 15:02

回复 5# jiachem 的帖子

wrong results will not be published.
My boss use siesta from the birthday of the softwear and has much experience. if the computations are important and will turn out to be a paper, we must check them with vasp or castep.

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