lammps/examples/SPIN/gneb
julient31 97baee4931 Commit2 JT 042919
- modified energy/torque tolerance for faster convergence in
examples/SPIN/gneb/skyrmion/in.gneb.skyrmion
2019-04-29 08:23:57 -06:00
..
iron Commit JT 040519 2019-04-05 13:22:46 -06:00
skyrmion Commit2 JT 042919 2019-04-29 08:23:57 -06:00
README Commit3 JT 040819 2019-04-08 11:22:02 -06:00

README

Perform geodesic NEB calculations for spin configurations.
The two examples are:
- the magnetic switching of an iron nanoisland
- the collapse of a magnetic skyrmion

Run those examples as:

mpirun -np 3 lmp_mpi -in in.gneb.iron -partition 3x1

You should be able to use any number of replicas >= 3.

In the interpolate/ directory, a c routine is provided to
interpolate the MEP.