diff --git a/examples/neb/in.neb.sivac b/examples/neb/in.neb.sivac index 941d063b90..7a35174466 100644 --- a/examples/neb/in.neb.sivac +++ b/examples/neb/in.neb.sivac @@ -57,14 +57,14 @@ variable u uloop 20 # only output atoms near vacancy -#dump events vacneigh custom 1000 dump.neb.sivac.$u id type x y z # initial minimization to relax vacancy displace_atoms all random 0.1 0.1 0.1 123456 minimize 1.0e-6 1.0e-4 1000 10000 +reset_timestep 0 -reset_timestep 0 +#dump events vacneigh custom 1000 dump.neb.sivac.$u id type x y z fix 1 all neb 1.0