Using GPAW to perform basic DFT tasks in python | ARC Centre of Excellence in Exciton Science

In this tutorial, Dr Sherif Abbas of RMIT will focus on using GPAW to do basic calculations on the desktop. 

He will show you how to setup GPAW on your computer, create a new structure (we will focus on small molecules here), set up a calculation, perform the calculation and analyse the results. 

If you have Python installed, type this in your command line: pip3 install gpaw

This will install GPAW on your computer. So easy! 

If you don't have python installed, or if you are having any difficulties, please ask to discuss this during the tutorial.

To register for the live Zoom tutorial, please visit: