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Get Free AccessVASP inputs and outputs for the:\n\n\n\tAr2 binding energy curve (Ar2_bpara.tar.gz)\n\tL28 set of layered-solid geometries and interlayer binding energies (L28.tar.gz)\n\tS22 set of interaction energies of weakly-bound complexes (S22.tar.gz)\n\n\nAll POTCAR files have been replaced by "potcar.txt" files containing the title(s) of the POTCAR(s) needed to reproduce the calculations. A preprint is available from the arXiv:2204.11717 (link).
John P Perdew, Jianwei Sun, Jinliang Ning, Manish Kothakonda, James W. Furness, Aaron D. Kaplan, Sebastian Ehlert, Jan Gerit BrandenburgData for "Workhorse minimally-empirical dispersion-corrected density functional, with tests for weakly-bound systems: r2 SCAN + rVV10". , DOI: https://doi.org/10.5281/zenodo.6871949.
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Type
Dataset
Authors
8
Datasets
0
Total Files
0
Language
en
DOI
https://doi.org/10.5281/zenodo.6871949
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