[lammps-users] heat capacity problem


Speaking through my hat ... (since I have not done this myself).
How about carrying out simulations at different temperatures at a
constant pressure?
This will allow the volume of the system to change according to
current temperature
and the results can be post processed (from the enthalpy of the system
at the two
temperatures) to get the heat capacity at constant pressure.

Waiting for the experts to comment on the above approach.

I have a query too..
Has anyone used lammps to simulate charged dust-dust interactions using the
screened Yukawa potential. I would also be interested in references to
using lammps wherein:
1) Screened yukawa potential has been used, and
2) fracture has been studied (yes, I have see and repeated the crack example

Thanks in advance.
Best Regards,
(Inst. for Plasma Research, BHAT, Gandhinagar,
Gujarat, India -382428)