UT theoretical chemistry code forum

Thank you for your reply. The neb2dim script is so helpful. I, my teacher, and my friend (who noticed this problem) always use this. The teacher says using POSCARs generated by neb2dim.pl shows bad convergence and replacing them with the highest-energy CONTCARs of the NEB calculation often greatly s...

Sorry, this might be my comprehension problem.
Is it OK to use POSCARs of the NEB calculations rather than CONTCARs? I thought I had to adopt CONTCARs to consider the results of the NEB calculations.

Dear all, I am wondering how to use the "neb2dim.pl" script. I understand the usage of "neb2dim.pl" as follows; 1. To run CI-NEB calculation. 2. To execute "vfin.pl" 3. To enter the newly-created directory (and to execute "nebresults.pl") 4. In the directory, ...