CASTEP > Dialogs in CASTEP > CASTEP Analysis dialog

CASTEP Analysis dialog

The Analysis dialog allows you to analyze the results of a CASTEP calculation.

A list of properties that may be analyzed is displayed at the top of the dialog.

Select the property you wish to analyze from the list. Options relating to analysis of that property are displayed at the bottom of the dialog.

The options for each property are described in the following topics:

Band structure selection

Core level spectroscopy selection

Density of states selection

Elastic constants selection

Electron density selection

Electron density difference selection

Electron localization function selection

Energy evolution selection

Fermi surface selection

IR spectrum selection

NMR selection

Optical properties selection

Orbitals selection

Phonon dispersion selection

Phonon density of states selection

Population analysis selection

Potentials selection

Reaction kinetics selection

Raman spectrum selection

STM profile selection

Structure selection

Thermodynamic properties selection

Help: Displays the Help topic for the currently selected analysis.

Access methods

Menu Modules | CASTEP | Analysis
Toolbar CASTEP | Analysis
See Also:

Dialogs in CASTEP
Analyzing CASTEP results

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
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