我用Dmol进行完构型优化后,对优化后的构型进行能量计算,结果计算完成之后的构型无法打开。显示的错误是:An error occurred while opening a view onto the document:
Failed to import document from D:\project1\Untitled Files\Documents\7T1Al no constrain OaH6 DMol3 Energy\7T1Al no constrain OaH6.xsd.
- Unable to process XSD content - Unable to parse XSD as valid XML - The input ended before all started tags were ended. Last tag started was 'AtomisticTreeRoot' at line 646, column
将构型单独拿出来,在Documents文件夹下进行计算,还是出现这样的问题。系统重装,MS软件重装后,重新计算,问题依然存在。
急求各位高手的帮忙,不胜感激!