Dear Lammps users,
I am trying to calculate viscosity of an amorphous system at 300 K (after quenching) using the equilibrium method with the Green-Kubo formula but I get I completly wrong result about 1 (Pasec) while a value higher than 10^12 (Pasec) is expected.
I used the script that from the viscosity examples and I converted the units from metal to SI. I also read previous messages with similar problems but I didn’t figure out how to solve my problem. Do you have any suggestion or idea of what maybe the problem?
Thanks a lot in advance ,
Alex
Here is the input that i used
Sample LAMMPS input script for viscosity AAAAAAAAA
variable T equal 300
variable V equal vol
variable dt equal 0.001
variable p equal 200 # correlation length
variable s equal 1 # sample interval
variable d equal $p*$s # dump interval
convert from LAMMPS real units to SI
variable kB equal 1.3806504e-23 # [J/K/** Boltzmann
variable bar2Pa equal 100000.0
variable A2m equal 1.0e-10
variable ps2s equal 1.0e-12
variable convert equal {bar2Pa}*{bar2Pa}{ps2s}*{A2m}{A2m}*{A2m}
units metal # Angstrom, eV, ps, bar
boundary p p p # Periodic boundaries in all dimensions.
atom_style atomic # Pair potentials.
atom_modify map array