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TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials

Markus Aichhorn, Leonid V. Pourovskii, Priyanka Seth, V. Vildosola, Manuel Zingl, Oleg E. Peil, Xiaoyu Deng, Jernej Mravlje, Gernot J. Kraberger, Cyril Martins,

Computer Physics Communications · 2016 · 202 citations · 32 references

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32

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

Metal-insulator transitions

Masatoshi Imada, A. Fujimori, Yoshinori Tokura · Reviews of Modern Physics · 1998 · 7.5K citations

, , +16

Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions

Antoine Georges, Gabriel Kotliar, Werner Krauth et al. · Reviews of Modern Physics · 1996 · 6.9K citations

, , +16

Maximally localized generalized Wannier functions for composite energy bands

Nicola Marzari, David Vanderbilt · Physical review. B, Condensed matter · 1997 · 4.8K citations · Full text

, , +9