GIMS - Graphical Interface for Materials Simulations

GIMS is a browser-based toolbox for electronic structure codes and supports the generation of input files for first-principles electronic structure calculations and workflows, as well as the analysis and visualization of the resulting data extracted from the output files.

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The objective of GIMS is to lower the entry barrier and to provide an easy-to-use, platform-independent, zero-setup toolbox for standard tasks within the framework of first-principles electronic-structure calculations. GIMS is intentionally written and designed to be easily extendable to any electronic-structure code. At present, it supports the FHI-aims and exciting codes.

The GIMS publication can be found here:
Kokott, S., Hurtado, I., Vorwerk, C., Draxl, C., Blum, V., & Scheffler, M. (2021).
GIMS: Graphical Interface for Materials Simulations.
Journal of Open Source Software, 6(57), 2767.
DOI: 10.21105/joss.02767

Feature List

  • Structure visualisation of various different formats: investigate, manipulate, export, and take snapshots of your structure.
  • Select your needed input parameters from a list, which includes detailed explanations for all keywords.
  • Visualize all of your output files (main output files, density of states, band structure + Brillouin Zone and Path) with ease. Publication ready graphs and pictures can be downloaded.
  • Select specific workflows. The workflow will guide you through the needed steps and background checks will help to avoid easy setup errors for your calculation. Available workflows:
    • Simple Calcuation: Setup your single-point calculation or structure relaxation.
    • Band Structure: Automatically generates the band-structure path based on your input structure.