Question about NEB

Hello :

  When I run a NEB job by lammps, it shows that " can't not use NEB
with a single replica". How can I modify my command file or
do something to solve this problem?

THANK YOU

REGARDS

ALLEN

Hello :

When I run a NEB job by lammps, it shows that " can't not use NEB
with a single replica". How can I modify my command file or
do something to solve this problem?

you have to run with multiple partitions. check out the documentation on that.

axel.

When I run a NEB job by lammps, it shows that " can't not use NEB
with a single replica". How can I modify my command file or
do something to solve this problem?

you have to run with multiple partitions. check out the documentation on that.

Moreover, it makes no sense to run NEB with a single replica. It can't
find a barrier if there is only one replica. You need at least 3: one at
each of the 2 minimums, and one in the middle.

Steve