Published March 9, 2022
| Version 2
Dataset
Open
NEP potential training and testing files for phosphorene
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)
| Name | Size | Download all |
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md5:bf2195757bfc18f8b5ac22f5bc08261c
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1.5 MB | Preview Download |