I am trying to find out the diffusion pathway and barrier energy of Li in Al2O3 amorphous .But why is forces and distance are all zero in nebbarrier result.New user of NEB.
1 0 0.000000 0.000000 0.000000 0
2 1 0.000000 6.443626 0.000000 1
3 2 0.000000 13.902452 0.000000 2
4 3 0.000000 19.860677 0.000000 3
5 4 0.000000 13.142480 0.000000 4
6 5 0.000000 6.136395 0.000000 5
7 6 0.000000 0.000006 0.000000 6
Unable to understand nebbarrier.pl result
Moderator: moderators
Re: Unable to understand nebbarrier.pl result
This is most likely because you don't have the VTST code linked into your vasp binary. You can grep the OUTCAR for VTST to check.