The DFT Course

By Nathan M. Lui

The Short Course

Software
Linux Basics
My First Script
SLURM
My First SLURM Job
The Gaussian Input File
My First Gaussian Job
The Gaussian output file
Calculating A-values

The Long Course

Alternative basis sets and ECPs
What is a transition state?
Transition Structure Search

Problems

The smelly dimer problem
The E-Z isomer problem

Resources

g16 routing line templates
Links

Course repo Download in PDF
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