This repository contains an object-oriented Python package which can be used to extract and process programmatically the data obtained from a WIEN2k and/or wannier90 calculations. It also contains a density-matrix class and a quantum-mechanics subpackage which supports, among other features, occupation matrix manipulation such as basis transformation or angular/spin momentum projections.
This package is being implemented and tested for the versions WIEN2k_17.1 and WIEN2k_16.1
Although this package is tested for Python2.7, the __future__
module was used to prevent compatibility problems with Python3.