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[求助]
算的是Ho的單原子的能量,簡單晶體結(jié)構(gòu)a,b,c是10-10-10
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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 這是錯(cuò)誤,麻煩大神分析下,是結(jié)構(gòu)的問題嗎 |
木蟲 (正式寫手)

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