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2Â¥2012-04-28 14:48:09
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Error termination request processed by link 9999. Error termination via Lnk1e in Maximum Force 0.058108 0.000450 NO RMS Force 0.033504 0.000300 NO Maximum Displacement 0.000923 0.001800 YES RMS Displacement 0.000545 0.001200 YES Predicted change in Energy=-1.203569D-02 Optimization stopped. -- Number of steps exceeded, NStep= 25 -- Flag reset to prevent archiving. ֮ǰÓÐÊÔ¹ýÌí¼Ómaxclcye=300 opt=gdiisÓï¾ä µ«ÊÇÒ²²»ÄÜÕý³£ÊÕÁ² |
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