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Â¥: Originally posted by fzx2008 at 2011-12-20 22:53:38:
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2011/12/20@20:35:36  Diagnostics INFO Log file created
2011/12/20@20:48:45  [SKAAT] - BN CASTEP GeomOpt ERROR CASTEP terminated with unknown error status.
2011/12/20@21:04:23  [SKAAT] - BN CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from C:\Users\cBN\Documents\Materials Studio Projects\thirdstepB Files\Documents\64atoms\BN CASTEP GeomOpt\BN.xsd. - binary file with castep results not present.
2011/12/20@21:04:24  [SKAAT] - BN CASTEP GeomOpt ERROR Files not removed from server due to previous errors.
2011/12/20@21:04:24  [SKAAT] - BN CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived.
2011/12/21@12:12:18  [TQGS3] - BN CASTEP GeomOpt ERROR CASTEP terminated with unknown error status.
2011/12/21@12:15:33  [TQGS3] - BN CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from C:\Users\cBN\Documents\Materials Studio Projects\thirdstepB Files\Documents\64test\BN CASTEP GeomOpt\BN.xsd. - binary file with castep results not present.
2011/12/21@12:15:33  [TQGS3] - BN CASTEP GeomOpt ERROR Files not removed from server due to previous errors.
3Â¥2011-12-21 12:23:42
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Â¥: Originally posted by fzx2008 at 2011-12-20 22:53:38:
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Error calculate_finite_basis : Convergence failed when doing finite basis set correction.
4Â¥2011-12-21 12:25:46
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wxdgbt(½ð±Ò+1): 2011-12-23 18:46:15
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