(OBSOLETE!) T. list
The band structure of silver (OBSOLETE!)
A typical DFT calculation follows the pattern:

The density of states of Ag (OBSOLETE!)
This page is a continuation of Ag-bandstructure.

Ag TDDFT (OBSOLETE!)
The loss function, related to a finite momentum transfer process is determined. The q-vector is defined in the <qpointset> element in the input file.

Tutorial Scripts and Environment Variables
[[==]]

by Pasquale Pavone for exciting beryllium


Cluster Expansion of TiAl
for helium version of Exciting

Purpose: This tutorial shows how to do a cluster expansion of the total energy of fcc TixAl1-x, using the Alloy Theoretic Automated Toolkit (ATAT) in combination with exciting. It is shown how to prepare and setup the calculation, how to run it and how to evaluate the results. The goal of this tutorial is to compute the groundstate structures of fcc TixAl1-x in the whole concentration range from x=0 to x=1.


Convergence Test for Elastic Constants
for helium version of Exciting

ElaStic@exciting: Elastic-Constants Calculation
for helium version of Exciting

Electronic-Structure Calculation
for exciting helium


Energy vs. Strain Calculations
[[==]]

for helium version of Exciting


Equation of State of Elemental Crystals
Purpose: In this tutorial we describe how to find the equilibrium volume and lattice parameters of an elemental system with known crystal structure (e.g., Be with hcp structure). In the simplest case, this is achieved by generating multiple calculations with different unit cell volumes. A energy-vs-volume function E(V) is then fitted using the Birch-Murnaghan equation of state. The minimum of this function provides the equilibrium volume and bulk modulus for the elemental system with the given crystal structure.

Exchange Correlation Functionals
for helium version of Exciting

Excited States from BSE
for helium version of Exciting

Excited States from TDDFT
for helium version of Exciting

exciting@web
for helium version of Exciting

Purpose: explore exciting@web. Get oriented in the exciting input file with the help of the interactive editor.


Input Output And Templating
for exciting helium

Purpose:You will learn how to edit XML with an XML editor, use templates in order to transform xml data into visualizations. In addition, you will use XSLT for setting up numerical experiments.


Spin-Polarized Calculations for bcc Crystals
for helium version of Exciting

Phonons at Γ in Diamond-Structure Crystals
for helium version of Exciting

Phonons at X in Diamond-Structure Crystals
for helium version of Exciting

Structure Optimization for Cubic Systems
for helium version of Exciting

Van-der-Waals Energy Functional
for helium version of Exciting

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