45 scientists gathered in May 2019 in Louvain-la-Neuve (Belgium), to discuss about precision, accuracy and uncertainty of density-functional theory calculations. Their thoughts and insights did not evaporate in thin air: they are archived on this website for further use by the community. 27 short talks and 7 lively discussion sessions are condensed in nearly 7 hours of video, 7 discussion digest documents and one summarizing action document.
session 1: towards better benchmark sets
session 2: pseudopotential development
discussion digest: pseudopotential development
session 3: workflow and data management
discussion digest: workflow and data management
session 4: beyond total energies
discussion digest: beyond total energies
session 5: accuracy assessment
discussion digest: accuracy assessment
session 6: pushing numerical convergence
discussion digest: pushing numerical convergence
session 7: beyond DFT
Some actions and recommendations that were distilled from this meeting, are summarized here.
![participants at PQ-DFT 2019 in Louvain-la-Neuve](/sites/pqdft2019.abinit.org/files/pictures/pqdft_group_picture.jpg)
Any comments, thoughts or items you want to discuss? Feel free to contact Stefaan Cottenier (stefaan.cottenier@ugent.be) or Kurt Lejaeghere (kurt.lejaeghere@ugent.be).
The website with Delta benchmarks for lots of methods and codes is available at http://molmod.ugent.be/deltacodesdft.