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Berny optimization. SLEqS1 Cycle: 931 Max:0.506501E-02 RMS:0.854021E-03 Conv:0.174091E-08 Incomplete coordinate system. Try restarting with Geom=Check Guess=Read Opt=(ReadFC,NewRedundant) Incomplete coordinate system. Error termination via Lnk1e in e:\g03w\l103.exe at Fri Sep 12 18:20:31 2008. Job cpu time: 0 days 0 hours 4 minutes 43.0 seconds. File lengths (MBytes): RWF= 12 Int= 0 D2E= 0 Chk= 8 Scr= 1 ÕâÊǽáβ¸øµÄÌáʾ£¬ÇëÎÊÔõô½â¾öÄØ£¿ [ Last edited by yjcmwgk on 2009-11-26 at 13:37 ] |
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