Ab Initio Full Cell GW+DMFT for Correlated Materials
نویسندگان
چکیده
منابع مشابه
TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials
We present the TRIQS/DFTTools package, an application based on the TRIQS library that connects this toolbox to realistic materials calculations based on density functional theory (DFT). In particular, TRIQS/DFTTools together with TRIQS allows an efficient implementation of DFT plus dynamical mean-field theory (DMFT) calculations. It supplies tools and methods to construct Wannier functions and ...
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ژورنال
عنوان ژورنال: Physical Review X
سال: 2021
ISSN: 2160-3308
DOI: 10.1103/physrevx.11.021006