<div>Hi,</div><div><br></div><div>I'm running a NEB calculation. I get several *-BANDN.out files, where N is an integer. In some of these files, such as BAND8, I get sections that look like</div><div><br></div><div><span><span> *******************************************************************************
</span><br> <span style="font-weight: bold;">RMS</span><span> DISPLACEMENT =   0.00019     [ 1.00000]                               (YES)
</span><br> MAX DISPLACEMENT =   0.00487     [ 1.00000]                               (YES)
<br> <span style="font-weight: bold;">RMS</span><span> FORCE        =   0.00028     [ 0.00500]                               (YES)
</span><br> MAX FORCE        =   0.01032     [ 0.00100]                               ( NO)
<br> *******************************************************************************<br>
<br></span></div><div><span>but in others, in particular the bands near the middle, I don't get this section, so I don't know if its coming close to converging or not?<br></span></div><div><span><br></span></div><div><span>Is that because for whatever reason the calculation has not yet reached a point where it can get these numbers? <br></span></div><div><span><br></span></div><div><span><br></span></div><div><span>Thanks in advance for any suggestions.<br></span></div>

<p></p>

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