The following options are available when STM profile is selected from the list of properties.
Results file: Select the CASTEP results file from which the information required to model the STM profile 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.
STM analysis is only available if orbitals were requested.
When more than one set of results is available, it is preferable to use output files for DOS calculation, especially when STM images of empty bands are required.
STM bias: Specify the value of the bias for STM modeling. Positive bias corresponds to the imaging of empty (conduction) states, negative bias to the imaging of occupied (valence) states.
View isosurface on import: When checked, an isosurface will be created automatically when the STM profile field is imported.
Import: Imports the selected STM profile field from the CASTEP results file into the current structure document.
|Menu||Modules | CASTEP | Analysis | STM profile|
|Toolbar||| Analysis | STM profile|
Analyzing CASTEP results
Requesting orbitals analysis
Visualizing volumetric data
CASTEP Analysis dialog