求助关于计算用MS计算半导体能带的问题

计算失败后，给出的错误信息是2014/09/03@15:07:31 - GaP CASTEP GeomOpt ERROR CASTEP terminated with unknown error status.
2014/09/03@15:07:33 - GaP CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from C:\Users\pc\Documents\Materials Studio Projects\2014090301 Files\Documents\GaP CASTEP GeomOpt\GaP.xsd. - binary file with castep results not present.
2014/09/03@15:07:33 - GaP CASTEP GeomOpt ERROR Files not removed from server due to previous errors.
2014/09/03@15:07:33 - GaP CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived.