How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Bosoni E, Beal L, Bercx M, Blaha P, Blügel S, Bröder J, Callsen M, Cottenier S, Degomme A, Dikan V, Eimre K, Flage-Larsen E, Fornari M, Garcia A, Genovese L, Giantomassi M, Huber SP, Janssen H, Kastlunger G, Krack M, Kresse G, Kühne TD, Lejaeghere K, Madsen GKH, Marsman M, Marzari N, Michalicek G, Mirhosseini H, Müller TMA, Petretto G, Pickard CJ, Poncé S, Rignanese GM, Rubel O, Ruh T, Sluydts M, Vanpoucke DEP, Vijay S, Wolloch M, Wortmann D, Yakutovich AV, Yu J, Zadoks A, Zhu B & Pizzi G
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Bosoni, E., Beal, L., Bercx, M., Blaha, P., Blügel, S., Bröder, J., … Pizzi, G. (2024). How to verify the precision of density-functional-theory implementations via reproducible and universal workflows. Nature Reviews Physics, 6, 45-58. https://doi.org/10.1038/s42254-023-00655-3