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The realistic description of correlated electron systems has taken animportant step forward a few years ago as the combination of density functionalmethods and the dynamical mean-field theory was conceived. This frameworkallows access to both high and low energy physics and is capable of thedescription of the specific physics of strongly correlated materials, like theMott metal-insulator transition. A very important step in the procedure is theinterface between the band structure method and the dynamical mean-field theoryand its impurity solver. We present a general interface between a projectoraugmented wave based density functional code and many-body methods based onWannier functions obtained from a projection on local orbitals. Theimplementation is very flexible and allows for various applications. Quantitieslike the momentum resolved spectral function are accessible. We presentapplications to SrVO$_3$ and the metal-insulator transition inCa$_{2-x}$Sr$_{x}$RuO$_4$.

journal of physics. condensed matter

General DFT++ method implemented with projector augmented waves:  Electronic structure of SrVO$_3$ and the Mott Transition in  Ca$_{2-x}$Sr$_{x}$RuO$_4$