Difference between revisions of "MOLGW 2016"
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== Documentation == | == Documentation == | ||
The full documentation can be found [www.molgw.org | The full documentation can be found [https://www.molgw.org here]. | ||
Revision as of 18:43, 28 May 2020
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/GCC-8.3.0
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.
