Software Framework for Strongly Correlated Materials: from DFT to DMFT
presentationposted on 04.02.2020 by Hyowon Park
Academic presentations can be uploaded in their original slide format. Presentations are usually represented as slide decks. Videos of presentations can be uploaded as media.
Dynamical Mean Field Theory (DMFT) is a successful method to compute the electronic structure of strongly correlated materials, especially when it is combined with density functional theory (DFT). Here, we present an open-source computational package (and a library) combining DMFT with various DFT codes interfaced through the Wannier90 package. To test and check our implementation, we computed the density of states and the band structure of well-known correlated materials, namely LaNiO3, SrVO3, and NiO.