Re: [lammps-users] [EXTERNAL] Fwd: LAMMPS Elastic Constant Computation

Please post questions to the LAMMPS mailing list. The answer to your question is “not compulsory.” You can define the initial geometry in many ways, including the read_data command. The goal is to arrive at a structure that is fully relaxed: zero forces and zero stress. Also, please use the latest version of this script examples/ELASTIC/in.elastic.

Aidan

Will do, thanks!