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
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
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
Generate inputs specific for the molecular dynamics simulation.
Elemental Apps
Structure Builder
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
Choose the numerical settings for your calculation! The basis sets are attached, automatically.
Output Analyzer
Upload all of your output files and the most important data will be extracted and visualized! E.g.: Band structure, DOS, Energies, Numerical Convergence.