请问个问题啊，急啊，高斯计算为啥开始有4个YESOptimization completed.
-- Stationary point found.
后面就只有2个YES了，并且没有Optimization completed.
-- Stationary point found.
结果可取吗？ Item Value Threshold Converged?
Maximum Force 0.000086 0.000450 YES
RMS Force 0.000021 0.000300 YES
Maximum Displacement 0.000854 0.001800 YES
RMS Displacement 0.000260 0.001200 YES
Predicted change in Energy=-1.214824D-07
Optimization completed.
-- Stationary point found.
Item Value Threshold Converged?
Maximum Force 0.000086 0.000450 YES
RMS Force 0.000021 0.000300 YES
Maximum Displacement 0.007354 0.001800 NO
RMS Displacement 0.001370 0.001200 NO
Predicted change in Energy=-3.045431D-07
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