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sapere

铁虫 (小有名气)

应助: 0 (幼儿园)
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虫号: 7949498
注册: 2018-02-06
性别: GG
专业: 金属材料的微观结构

[求助] 算的是Ho的单原子的能量，简单晶体结构a,b,c是10-10-10

2019/05/07@00:57:19  Diagnostics INFO Log file created
2019/05/07@01:45:45  [FMOKP] - Ho CASTEP GeomOpt ERROR CASTEP terminated with unknown error status.
2019/05/07@07:47:10  [FMOKP] - Ho CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from F:\rare earth\Re_Files\Documents\Ho CASTEP GeomOpt\Ho.xsd. - Binary file with CASTEP results not present.
2019/05/07@07:47:14  [FMOKP] - Ho CASTEP GeomOpt ERROR Files not removed from server due to previous errors.
2019/05/07@07:47:14  [FMOKP] - Ho CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived

这是错误，麻烦大神分析下，是结构的问题吗

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