GPAW
GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE).
Documentation
Usage
To see what versions of GPAW are available type
module avail GPAW
To see what other modules are needed, what commands are available and how to get additional help type
module help GPAW
To use GPAW, include a command like this in your batch script or interactive session to load the GPAW module:
module load GPAW
Be sure you also load any other modules needed, as listed by the module help GPAW command.
