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).
We note that the format of nep.in is compatible with the GPUMD 2.9 (https://github.com/brucefan1983/GPUMD/releases/tag/v2.9).
Files
NEP_Phosphorene.zip
Files
(2.9 MB)
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md5:1c5ad27426afad83fc295b4de516937a
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