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 neb_combine.py and neb_final.py 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.
Regards,
Madhur Aggarwal