Dear VTSTTools users,
I am running CI -NEB calculations and new to VTSTTools. I wish to monitor the convergence of the calculations using nebconverge.pl but when i run that i am getting the following error. can you please help me out in fixing this? Thanks in advance
Best,
Ranga
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- Wed Mar 03, 2021 4:25 pm
- Forum: VTSTTools
- Topic: nebconverge.pl script not working
- Replies: 0
- Views: 85843