Precision verification results data for DFTK@PW|PseudoDojo-v0.5

Density-functional theory (DFT) is a cornerstone of computational materials science. The Density-Functional Toolkit (DFTK) is a recent plane-wave DFT code, written with a flexible architecture and in a high-level language to facilitate development of new methods and support fundamental mathematical research on DFT. DFTK has been instrumental in a good dozen of recent papers, and its core DFT routines are considered stable. So far a systematic precision benchmark against other codes and approaches had not yet been performed. In this work, we apply the verification protocol established by E. Bosoni et al. [Nat. Rev. Phys. 6, 45-58 (2024)] based on the AiiDA high-throughput engine, to validate the precision of DFTK against the existing all-electron and pseudopotential data. This record contains our results, as well as the scripts needed to reproduce them. Out of the 720 systems, DFTK achieves excellent agreement with the all-electron average (ε