[交流] 【求助】g09 IRC只跑两个点就正常结束意味什么？ 已有4人参与

IRC输入文件命令行： #P B3lyp/6-31g IRC=(RCFC,maxpoints=30,HPC,report) Geom=AllCheck Guess=R ead 输出文件正常结束： ..... PES minimum detected on this side of the pathway.     Magnitude of the gradient =      0.0000924 Calculation of FORWARD path complete. Begining calculation of the REVERSE path. Calculating another point on the path. ...... PES minimum detected on this side of the pathway.     Magnitude of the gradient =      0.0000983 Calculation of REVERSE path complete. Reaction path calculation complete. ...... Normal termination of Gaussian 09 at Fri Apr 23 20:12:27 2010. 恳请各位帮忙，IRC只跑两个点就正常结束，这意味着什么啊？正常吗？g09 IRC只跑两个点就正常结束意味什么？ [ Last edited by heyo_123 on 2010-4-26 at 17:00 ]

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