24 November 2024 1 2K Report

I am new to LAMMPS and want to calculate the elastic constants of Ar at 60K and 1bar by explicit deformation of 0.01 strain to mimic work done in a research paper, I have written the code the results aren't look good can someone please help me. Link to the article: Article Computation of elastic constants of solids using molecular s...

My LAMMPS code is attached as file here. Please help me

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