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.

See Also: