Structure generation for Quantum ESPRESSO and optimization of bilayer graphene

In this tutorial I have shown how to create the structure for ESPRESSO input starting from a .CIF structure file, using PW Tools. Thereafter I have shown how to carry out a structure optimization with Quantum ESPRESSO with the example of a bilayer graphene.


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