Volume Optimization for Cubic Systems

[[==]]

for helium version of Exciting

X-Ray Absorption Spectra Using BSE

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.