amorphous cell建模时出现错误,大侠们帮忙看看
分子数少时,amorphous cell没有任何问题。
但是分子数多时,amorphous cell就出错。
错误如下:
log文件中的错误信息:
[email=2013/02/13@11:04:26]2013/02/13@11:04:26[/email][FQAUP] - waterchun AC Constr ERROR AmorphousCellConstruct has finished with an empty acclog file
[email=2013/02/13@11:05:20]2013/02/13@11:05:20[/email][FQAUP] - waterchun AC Constr ERROR Failed to Import file: waterchun.xtd. One or more arguments are invalid
[email=2013/02/13@11:05:20]2013/02/13@11:05:20[/email][FQAUP] - waterchun AC Constr ERROR Files not removed from server due to previous errors.
[email=2013/02/13@11:05:20]2013/02/13@11:05:20[/email][FQAUP] - waterchun AC Constr WARN As instructed, files have been left on remote server, these may need to be manually archived