Hi Axel,
My input file is very simple, and the ensemble is NVT. The rotation occurs
in many cases, various potentials and components. when I set a larger
lattice parameter, the particle rotates slower.
Best,
Hao Dong
P.S. the following is my input file.
Hi Axel,
My input file is very simple, and the ensemble is NVT. The rotation occurs
if your particles can rotate freely, then there is
no need to use NVT. since they are not coupled
to a bulk somehow, right?
for the velocity command, there is an option to
remove the initial momenta. check out the documentation.
you may also need to look into the cutoffs
employed by your potentials relative to the
size of the nano particles. there may be
some residual artifacts leading to inconsistent
forces, e.g. if the force doesn't go smoothly
to zero.
in many cases, various potentials and components. when I set a larger
lattice parameter, the particle rotates slower.
that is elementary classical mechanics.
axel.
Hao Dong,
If you are using the FePt.tersoff you created and which was mentioned in the previous email, then you should double check the potential file. Also verify the potential a little more might help.
Ray