Data for: Bulk and Surface Properties of Gypsum: A Comparison between Classical Force Fields and Dispersion-Corrected DFT Calculations

Published: 2 April 2019| Version 1 | DOI: 10.17632/7rgm84xf5t.1
Contributor:
Mohammad Khalkhali

Description

LAMMPS input files to run molecular dynamics simulations for gypsum with different force fields.

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