最后几行是:
End of file in ZSymb.
Error termination via Lnk1e in /export/local/g03/g03/l101.exe at Fri Jan 14 23:07:16 2011.
Job cpu time: 0 days 0 hours 0 minutes 1.4 seconds.
File lengths (MBytes): RWF= 7 Int= 0 D2E= 0 Chk= 1 Scr= 1
这几行之上就是初始输入的原子坐标了。
想知道这是什么错误。