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    Graphical Interface for Materials Simulations   /  
Choose your code    
Choose GIMS version  
SETTINGS
Calculation Apps
Simple Calculation Simple Calculation Help  
Generate the input files needed for a single calculation:
1) Create the Structure 2) Choose numerical settings 3) Download input files 4) Analyze your results.
Band Structure Band Structure Help  
Automatically generate the band path for your periodic structure and setup all parameters needed for the calculation. Finally, import the result and download the band structure.
GW Calculation GW Calculation Help  
Generate band structure using the many-body perturbation theory in the GW approach. It improves the prediction of electronic band structure at higher computational cost.
MD Calculation MD Calculation Help  
Generate inputs specific for the molecular dynamics simulation.
Elemental Apps
Structure Builder Structure Builder Help  
Import a structure or design from scratch! Manipulate the structure of molecules or solids. Export the results in the format needed for the code of your choice.
Control Generator Control Generator Help  
Choose the numerical settings for your calculation! The basis sets are attached, automatically.
Output Analyzer Output Analyzer Help  
Upload all of your output files and the most important data will be extracted and visualized! E.g.: Band structure, DOS, Energies, Numerical Convergence.
Software enabling GIMS: ASESpglibthree.jsFlaskplotly
Version 1.2.3 Release Notes Contributing DOI: 10.21105/joss.02767