Data for "Workhorse minimally-empirical dispersion-corrected density functional, with tests for weakly-bound systems: r2 SCAN + rVV10"
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VASP inputs and outputs for the: Ar2 binding energy curve (Ar2_bpara.tar.gz) L28 set of layered-solid geometries and interlayer binding energies (L28.tar.gz) S22 set of interaction energies of weakly-bound complexes (S22.tar.gz) All POTCAR files have been replaced by "potcar.txt" files containing the title(s) of the POTCAR(s) needed to reproduce the calculations.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).
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Zenodo创建时间：
2022-07-21
