Exercises

The following exercises are part of the the course Condensed Matter Electronic Structure Theory held at University Zürich during the fall semester 2016.

Frequently Asked Questions

1. Login and running commands
2. First simulation run

1. Basic electronic structure calculation

1. Electronic structure calculation using DFT

1. Geometry optimization using DFT

1. Path optimization using NEB
2. Calculations with Periodic Boundary Conditions

1. Calculating the bulk modulus of Silicon
2. Projected density of states for graphene and h-BN

1. Getting the band structure of graphene
2. Analyzing defects in bulk silicon

1. Analyzing defects in graphene