Minimum energy curve from NEB

Hello everyone,

I am working on the implementation of NEB method for some model systems. I have got the dump files which I have used as input for the and scripts. I got the 2 files as output but these files only contain the coordinates of atoms in all the replicas. I need to plot a minimum energy path curve for which I will need to have the energy values also corresponding to those coordinates. Can anybody help me how can I get the energy values corresponding to these different images? Also, it will be great if you could recommend me a software where I can plot the minimum energy curve.

Thank you for your help in advance.

Madhur Aggarwal

The log files created when you ran the neb command (one log file

per replica) have the system potential energy for that replica.