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Open and interpret calculation results

Use the log for execution evidence and downloads. Use Figure Lab for plot editing, comparisons, layout, and publication export.

Complete guide

Open a result directly

  1. Find the completed run in Log.
  2. Inspect its convergence message and recorded numerical summary.
  3. Choose Open in Figure Lab when the result contains plottable data.
  4. The most recently edited active figure using that run reopens. If none exists, Figure Lab imports the numerical source and prepares a figure.
  5. If a retained source cannot be loaded, use Retry, check source availability, or import your original numerical file.

Distinguish numerical data from a preview

A PNG preview is a rendered image. Numerical datasets preserve samples and metadata that allow future restyling, alignment, and export.

New supported calculation outputs retain a compact research dataset separately from temporary raw-artifact access. Older runs without retained data may require original CSV/text files or a new run.

The ordinary artifact access window is typically three days. Storage lifecycle cleanup is configured separately. An expired download link is not evidence that a retained research dataset is lost.

Read physical claims carefully

  • A band gap estimate requires meaningful occupations or an energy reference. Unknown reference data must not be treated as zero Fermi energy.
  • DOS normalization must refer to the actual computational cell, atoms, formula units, or volume.
  • Phonon imaginary frequencies can reflect an instability or incomplete convergence; inspect the model and method.
  • Transport results depend on interpolation, sampling, temperature, chemical-potential conventions, and the relaxation-time model. Conductivity divided by relaxation time is not an absolute conductivity unless a justified time is supplied.

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