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Data for "Workhorse minimally-empirical dispersion-corrected density functional, with tests for weakly-bound systems: r2 SCAN + rVV10"

<p>VASP inputs and outputs for the:</p> <ul> <li>Ar2 binding energy curve (Ar2_bpara.tar.gz)</li> <li>L28 set of layered-solid geometries and interlayer binding energies (L28.tar.gz)</li> <li>S22 set of interaction energies of weakly-bound complexes (S22.tar.gz)</li> </ul> <p>All POTCAR files have been replaced by &quot;potcar.txt&quot; files containing the title(s) of the POTCAR(s) needed to reproduce the calculations. A preprint is available from the arXiv:2204.11717 (<a href="https://arxiv.org/abs/2204.11717">link</a>).</p>

ShareScore

36/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
4
Access
16
Reuse readiness
8
Engagement
0

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