Hi steve.
I used the Green Kubo furmula according to the example of manual.
can I obtain the correct answer with this ?
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Hi steve.
I used the Green Kubo furmula according to the example of manual.can I obtain the correct answer with this ?
by using LAMMPS correctly for correct
parameters and with a correct system setup.
axel.
I don't know. If you are also using fix rigid for a collection
of rigid nanoparticles and want thermal conductivity, you'd
have to think about how the heat transfers in that
mode, and whether the quantities that compute heat/flux
is using for the GK make sense when the individual
atoms are part of a rigid body. It's more a conceptual
issue than a LAMMPS issue. Maybe Reese wants
to comment.
Steve