MoS2 bandstructure calculation with Quantum ESPRESSO-BURAI GUI

In this video we will see how to import a new material (MoS2) into the GUI, see the format of XYZ and CIF files, and go on to simulate the Bandstructure of MoS2.
This tutorial also touches on the structure optimization technique in ESPRESSO, which will be further discussed later on.


Speaker: Dr. Amretashis Sengupta
Website: sites.google.com/site/ascnel2015/