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Running Gaussian16 on HPC Clusters (Advanced)
Tips and tools for Gaussian16 (gs16) users at CCAST/NDSU
Click here to view the complete tutorial. Topics covered in this tutorial include:
- Selecting HPC resources.
- Common input files for g16.
- Example job submission scripts.
- Geometry optimization calculations.
- Computing excited state properties.
- Python scripts to extract data from g16 output.