Hi all,
When I do NEB calculation and want to monitor how it is going so I used nebef.pl. However this is the output of it:
0 0.00000000 -822.91027600 0.00000000
1 0.00000000 -822.20579900 0.70447700
2 0.00000000 -823.10208200 -0.19180600
I only used one image, however the forces are all zero ...
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- Fri Dec 17, 2010 6:45 pm
- Forum: VTSTTools
- Topic: no force found after nebef.pl
- Replies: 1
- Views: 36163