[lammps-users] NEMD simulation

Dear all,

To calculate viscosity, I am running NEMD simulation by building a steady-state flow of pure LJ solvent.

With shear strain rate large than 0.05, steady state was reached very quickly. While when the

shear strain rate were reduced to around 0.005, it is really hard to obtain a steady-state flow. Up to now,

with simulation time up to 400000 (reduced unit), the velocity profile vx still looks not so good, with the

central value drafted up to around 0.6 gradually.

Below is the input file, any comments are welcome.

Thanks a lot!


You could try fix viscosity as an alternative to NEMD for
calculating viscosity and see what kinds of velocity profiles
you get.