The following options are available when Energy evolution is selected from the list of properties.
Results file: Select the CASTEP results file from which the energy evolution 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.
View: Generates chart documents as described in the Displaying trajectory and chart data topic.
These charts are the same as would be generated by selecting Update graphs in the CASTEP Job Control Options dialog. Charts generated using Energy evolution can be generated whether or not you chose Update graphs in the original calculation.
Each time you select Update graphs the existing chart documents are rewritten, and any changes or annotations you have made to the charts will be lost.
|Menu||Modules | CASTEP | Analysis | Energy evolution|
|Toolbar||| Analysis | Energy evolution|
Analyzing CASTEP results
Displaying trajectory and chart data
CASTEP Analysis dialog