Dear developers, Thank you for your reply. I have another question. My objective is to calculate the activation energy. I optimized the initial and final states and then ran an NEB calculation, but it did not converge. When I check the activation energy, it appears to oscillate. Do you have any suggestions to improve convergence? I also have a question about the parameter nstep_path, which the manual describes as the number of ionic + electronic steps. For my system, there are 35 atoms, and I used 10 images between the initial and final configurations i set nstep_path :150 . What value of nstep_path would you recommend in this case? Thank you in advance for your guidance.
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