[CP2K-user] [CP2K:16223] Where does NEB print its convergence information?

[alex van der waals]

Hi,

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

******************************************************************************* 

RMS DISPLACEMENT =   0.00019     [ 1.00000] 
                              (YES) 
MAX DISPLACEMENT =   0.00487     [ 1.00000] 
                              (YES) 
RMS FORCE        =   0.00028     [ 0.00500] 
                              (YES) 
MAX FORCE        =   0.01032     [ 0.00100]                               ( 
NO) 
*******************************************************************************

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?

Is that because for whatever reason the calculation has not yet reached a 
point where it can get these numbers? 


Thanks in advance for any suggestions.

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