(OBSOLETE!) T. list
for helium version of Exciting
- LiF BSE/TDDFT (OBSOLETE!)
- We will calculate the dielectric function of LiF by two different approaches, i.e. via the BSE formalism and then TDDFT utilizing the BSE-derived kernel.
- Phonon and Thermal Properties in Diamond-Structure Systems
- Purpose: In this tutorial you will learn how to calculate phonon-dispersion relations and some thermal properties in crystals with the diamond structure. As an example we consider Si in the diamond structure.
- Volume optimization of Ag
- Volume optimization is a simple case of an aggregation property. This example shows how to set up the inputs for the data points with the help of a template and how to determine the optimal volume by fitting the corresponding total energies.