The following options are available when Phonon density of states is selected from the list of properties.
Results file: Select the CASTEP results file from which the phonon density of states information will be taken. When more than one set of results is available, use the button to browse the current directory and appropriate subdirectories for results files.
Display DOS: Specify the type of the phonon density of states that will be displayed. Available options are:
When atoms are selected in the active structure document, the contribution to the phonon density of states from only the selected atoms will be plotted. Otherwise, the contribution from all atoms is considered.
Units: Specify the frequency units to be used for the phonon dispersion graph. Available options are:
More...: Provides access to the CASTEP Phonon DOS Analysis Options dialog which allows you to specify parameters that control the density of states integration method.
View: Displays the phonon density of states using the options specified.
|Menu||Modules | CASTEP | Analysis | Phonon density of states|
|Toolbar||| Analysis | Phonon density of states|
Phonon density of states
Density of states and partial density of states
Displaying phonon dispersion and density of states
CASTEP Analysis dialog
CASTEP Phonon DOS Analysis Options dialog