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uma-ase GUI Interface

Get single-point energies, run geometry optimisation and vibrational analysis at your fingertips.

Input Details

No file selected

Vib Analysis Settings

Summary

No structure loaded.

Calculate

Results

Upload a structure and run a job to see results here.

Input Details

No file selected

Summary

No structure loaded.

3D Visualizer

The visualizer automatically loads the geometry selected on the Actions tab. You can also open a file directly below.