2026-10-14T05:35:13Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33877621 2026-09-17T08:36:27Z portal_1197 item_type_3 month_year_09_2026

Data for FHI-aims benchmark for BEEF-vdW, vdW-DF2 and mBEEFvdW Svenja M. Janke (6671996) Reinhard J. Maurer (1397926) Andrew J. Logsdail (1367076) Migrated from ePrints We have performed a benchmark of the BEEF-vdW, mBEEF-vdW and vdW-DF2 implementations in the all-electron electronic structure code in FHIaims against the S22 benchmark set.<br><br>Description of results of benchmark performed for the density functional theory functionals BEEF-vdW, vdW-DF2 and mBEEF-vdW in the all electron electronic structure code FHIaims. 2023-09-25T00:00:00Z Dataset Dataset 10.82444/warw.33877621.v1 https://figshare.com/articles/dataset/Data_for_FHI-aims_benchmark_for_BEEF-vdW_vdW-DF2_and_mBEEFvdW/33877621 CC BY 4.0