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Part 2: How to use GPAW to perform basic DFT tasks in python
I will focus here on using the GPAW to do very basic calculations on the desktop. I will show you how to setup GPAW on your computer, create a new structure (we will focus on small molecules here), setup a calculation, perform the calculation and analyze 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, let's discuss during the tutorial.

Apr 19, 2021 11:00 AM in Canberra, Melbourne, Sydney

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