Welcome

The Rutgers DFT + DMFT Materials Database collects calculations of strongly correlated materials performed by the groups of Kristjan Haule and Gabriel Kotliar: actinides, cerium and ytterbium compounds, iron pnictides and chalcogenides, nickelates, iridates and other transition-metal oxides.

• The W2K database holds results of the embedded DMFT functional (eDMFT, Wien2K + DMFT).
• The LMTO database holds earlier LDA+DMFT results obtained with the LMTO method.

60 compounds in the W2K database · 18 compounds in the LMTO database

Every result can be explored with interactive plots and downloaded together with the input files of the calculation, so it can serve as a starting point for new work. The eDMFT code, tutorials and lectures are available under Downloads and Tutorials, and you are welcome to submit your own calculations.

Also on this site

• Introduction
• LMTO documentation · W2K documentation
• Input generator: build params.dat / sparams.dat for a new LDA+DMFT run