计算化学公社

标题: 用ms优化时，信息显示优化成功。但是找不到outmol文件 [打印本页]
作者
Author: yym    时间: 2021-4-3 15:00
标题: 用ms优化时，信息显示优化成功。但是找不到outmol文件
这种情况怎么去获得优化成功后的outmol文件
作者
Author: yym    时间: 2021-4-3 15:31
标题: 用MS优化完显示的是成功优化，但是在优化后的文件找不到outmoi文件，然后显示的这....
file:///C:/Program%20Files%20(x86)/BIOVIA/Materials%20Studio%2018.1/share/Graphics/matlog.gif | Project Log
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[size=-1]Error opening file C:\Untitled_Files\Documents\FeO (1 0 0) (3) DMol3 GeomOpt\FeO (1 0 0) (3).outmol as download target.
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[size=-1]Error opening file C:\Untitled_Files\Documents\FeO (1 0 0) (3) DMol3 GeomOpt\FeO (1 0 0) (3)_DOS.outmol as download target.
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[size=-1]Error opening file C:\Untitled_Files\Documents\FeO (1 0 0) (3) DMol3 GeomOpt\FeO (1 0 0) (3)_DOS.bands as download target.
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[size=-1]ERROR
[size=-1]Error opening file C:\Untitled_Files\Documents\FeO (1 0 0) (3) DMol3 GeomOpt\FeO (1 0 0) (3)_BandStr.outmol as download target.
[size=-1]2021/04/03@15:29:13
[size=-1][BSCY1] - FeO (1 0 0) (3) DMol3 GeomOpt
[size=-1]WARN
[size=-1]Failed to download file: FeO__1_0_0___3__BandStr.outmol
[size=-1]2021/04/03@15:29:13
[size=-1][BSCY1] - FeO (1 0 0) (3) DMol3 GeomOpt
[size=-1]ERROR
[size=-1]Error opening file C:\Untitled_Files\Documents\FeO (1 0 0) (3) DMol3 GeomOpt\FeO (1 0 0) (3)_BandStr.bands as download target.
[size=-1]2021/04/03@15:29:13
[size=-1][BSCY1] - FeO (1 0 0) (3) DMol3 GeomOpt
[size=-1]WARN
[size=-1]Failed to download file: FeO__1_0_0___3__BandStr.bands
[size=-1]2021/04/03@15:29:13
[size=-1][BSCY1] - FeO (1 0 0) (3) DMol3 GeomOpt
[size=-1]ERROR
[size=-1]Files not removed from server due to previous errors.
[size=-1]2021/04/03@15:29:13
[size=-1][BSCY1] - FeO (1 0 0) (3) DMol3 GeomOpt
[size=-1]WARN
[size=-1]As instructed, files have been left on remote server, these may need to be manually archived.





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