mizuchi 发表于 2018-9-23 01:32
1. $ ./cp2k.sopt -i INP | tee OUT
2. Could you provide your .sopt source file?
zyj19831206 发表于 2018-9-23 21:47
https://pan.baidu.com/s/1XlGdeuRP3sC4B9E1TCG2Aw
有点大,就不传论坛了,这是我的cp2k.sopt文件。。
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