[lammps-users] calculation of elastic constants

Dear Dr. Steve plimptor,
I am student on material science. For my topic, I am using molecular dynamics simulation method to get atomic scale resolution and direct observation of atomic mechanism. And the open source code “lammps” makes my research much efficient.
Recently, i encounter a question for which the calculation of elastic constants (i.e. C11 C12 C44 in cubic system) without deforming the simulation box is necessary. And i want to ask if lammps can do such work. Or can you give me some suggestions on it?
Regards,
Zhang

I'm not an expert on this, but I believe you can extract elastic
coeffs from things like pressure oscillations. LAMMPS can perform
the simulation and gather the appropriate stats for you; you'll have
to do the appropriate computation as a post-processing step.

Steve