CSSI_Poster_SI2_SSE_1740112.pdf (5.64 MB)

Software Framework for Strongly Correlated Materials: from DFT to DMFT

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poster
posted on 04.02.2020 by Hyowon Park
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.

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NSF SI2-SSE 1740112

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