Software Framework for Strongly Correlated Materials: from DFT to DMFT
Hyowon Park
10.6084/m9.figshare.11800692.v1
https://figshare.com/articles/poster/Software_Framework_for_Strongly_Correlated_Materials_from_DFT_to_DMFT/11800692
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.
2020-02-04 17:09:16
NSF-CSSI-2020-Poster
DMFT
DFT
Python
Strongly correlated material
Condensed Matter Physics