Selected Columns of the Density Matrix
This repository contains MATLAB code for the Selected Columns of the Density Matrix (SCDM) suite of algorithms and includes the routines necessary to use the SCDM method in conjunction with the Wannier90 software package. Algorithmic details may be found in the manuscript:
A. Damle and L. Lin, Disentanglement via Entanglement: a Unified Method for Wannier Localization, Multiscale Modeling & Simulation (2018) 16:3, 1392-1410
available from SIAM and in preprint form on arXiv.
Contents
The examples folder contains documentation, example input files, and an annotated work-flow that illustrates using this code with QuantumESPRESSO and Wannier90 to perform band interpolation.