MOLGW 2016

Introduction

MOLGW is a code that implements the many-body perturbation theory (MBPT) to describe the excited electronic states in finite systems (atoms, molecules, clusters). It most importantly implements the GW approximation for the self-energy and the Bethe-Salpeter equation for the optical excitations.

Installed version(s)

This version is installed and currently available

on environment hpc-env/8.3:

MOLGW/2.A/foss-2019b
MOLGW/2.D/intel-2019b

Using MOLGW

To load the desired version of the module, use the command, e.g.

module load hpc-env 8.3
module load MOLGW

After loading the module, you can call molgw from wherever you want to.

If you want to find out more about MOLGW on the HPC cluster, you can use the command

module spider MOLGW

This will show you basic information e.g. a short description and the currently installed version.

Documentation

The full documentation can be found here.