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Analysis

Analysis#

The analysis widgets implemented in ASAP facilitate the analysis of the project output files.
To open the analysis widget, select Exit and analyse after a calculation is successfully completed.
Analysis run exit analyse

It is also possible to open an analysis widget by selecting Analyse icon associated with a completed project.

Analysis analyse select

Some of the information provided by the analysis widget depends on the executed project type. - Single point analysis section. - Molecular Dynamics analysis section. - Geometry optimisation analysis section. - Equation Of State analysis section. - Nudget Elastic Band analysis section. - Phonons analysis section. - Vibrations analysis section. - Interfacial energy tool analysis section. - Convergence Tools: mesh cutoff analysis section. - Convergence Tools: Brillouin Zone sampling analysis section. - Local density of states analysis section.

General notes:

  • You can benefit from all features implemented in ASE GUI for structure visualisation. See section ASE GUI in ASAP.

  • You can save figures shown in the analysis widget by using right-click on top of them.