HRGHowto

From Hepplestone Research Group
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This page will list a set of how-to tutorials made by the ARTEMIS research group. These tutorials hope to cover a wide range of theoretical (computational and analytical) and software-based areas.

Theory

How to calculate work function, electron affinity and Schottky barriers

How to calculate Gibbs free energy from phonon frequencies

How to calculate the formation energy of various systems

Software


Jmol to display vibrational modes



Quantum Espresso