Published March 9, 2022 | Version 2

NEP potential training and testing files for phosphorene

Authors/Creators

  • 1. Harbin Institute of Technology, Shenzhen

Description

This dataset contains the force-field parameter files and reference dataset described in the manuscript "Versatile thermal transport properties in black, blue, and violet phosphorene from atomistic simulations with a neuroevolution potential" (to be published).

The format of nep.in file is compatible with the GPUMD 3.3.1 (https://github.com/brucefan1983/GPUMD/releases/tag/v3.3.1).

Files

NEP_3.3.1_Phosphorene.zip

Files (1.5 MB)

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