Analysis tools overview

Once a SIESTA calculation finishes, SiestaStudio can parse and visualize the most common output files. Analysis tools are accessed from the Analyses tab of a project or from the cluster jobs view after auto-import.

Available tools

  • Potential profile — plot the planar-averaged electrostatic potential along a chosen axis; detect vacuum levels and work functions.
  • Band structure — plot the electronic band structure from a .bands file.
  • Density of states (DOS) — total DOS from a SIESTA .DOS file.
  • Projected DOS (PDOS) — species- and orbital-resolved DOS.
  • Structure visualizer — interactive 3D view of the output geometry.
  • Subprogram outputs — results from tbtrans, vibra, denchar, macroave, fat, and mprop post-processing runs.

Workflow

  1. Pull or auto-import output files from your cluster.
  2. The studio detects the file type and creates an analysis entry.
  3. Open the analysis to see the interactive plot.

Related pages