Crystal system: monoclinic
Code: FHI-aims
Level of theory: DFT
Exchange-correlation functional: HSE06
K-point grid: 3×4×4
Level of relativity: atomic ZORA with SOC
Basis set definition: NAO
DOI for this data set: 10.6084/m9.figshare.12797465
Data set ID: 1630 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!