The following options are available when Elastic constants is selected from the list of properties.
Results file: Select the CASTEP results file from which the elastic constants 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.
Calculate: Calculates stress, the tensors of the elastic constants and the compliances, the bulk modulus,
compressibility, Young modulus, Poisson ratio and Lame constants for the selected run and writes the results to a new text document,
seedname Elastic Constants.txt, in the results folder.
|Menu||Modules | CASTEP | Analysis | Elastic constants|
|Toolbar||| Analysis | Elastic constants|
Analyzing CASTEP results
Calculating elastic constants
CASTEP Analysis dialog