w2dynamics: Local one- and two-particle quantities from dynamical mean field theory

TL;DR

w2dynamics is a versatile quantum Monte Carlo software package for multi-orbital impurity problems, enabling calculation of one- and two-particle quantities within dynamical mean field theory and its coupling to density functional theory.

Contribution

It introduces a new software package with advanced sampling schemes for efficient computation of local quantum impurity models.

Findings

Supports multi-orbital Anderson impurity models

Includes worm sampling and novel algorithms

Facilitates calculations in dynamical mean field theory

Abstract

We describe the hybridization-expansion continuous-time quantum Monte Carlo code package "w2dynamics", developed in Wien and W\"urzburg. We discuss the main features of this multi-orbital quantum impurity solver for the Anderson impurity model, dynamical mean field theory as well as its coupling to density functional theory. The w2dynamics package allows for calculating one- and two-particle quantities; it includes worm and further novel sampling schemes. Details about its download, installation, functioning and the relevant parameters are provided.