NEP potential training and testing files for phosphorene
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https://zenodo.org/record/6339703
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资源简介：
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).
创建时间：
2022-05-24
