Download these files for Lab 1. Be prepared: MOPAC is needed (see here, install locally or get account for cluster use, reserve one day for registrations)
Practice slides
Practice
- Lab 1 for benzene (MOPAC)
- Practice with Python tools (pymatgen and ase)
Reading
- MOPAC intro slides and online manual
- Jensen 4.1-4.10
- Cramer 7.1-7.5
- Szabo chapters 4-6