MOLGW 2016

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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:



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

module load hpc-env 8.3
module load MOLGW

To use molgw propperly, you have to proceed as follows:

mpirun -np $SLURM_NTASKS molgw <> > <output_file.out>

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.


The full documentation can be found here.