2.2) DFT: Plane Waves and Pseudopotentials (Lecture 2.2) Read more about 2.2) DFT: Plane Waves and Pseudopotentials (Lecture 2.2)
2.1) DFT: Conceptual foundations of Density Functional Theory (Lecture 2.1) Read more about 2.1) DFT: Conceptual foundations of Density Functional Theory (Lecture 2.1)
1.1) DFT: Ab initio Materials Modeling (Lecture 1.1) Read more about 1.1) DFT: Ab initio Materials Modeling (Lecture 1.1)
Tutorial 5.1 Band structure and visualization of Kohn-Sham wavefunctions Read more about Tutorial 5.1 Band structure and visualization of Kohn-Sham wavefunctions
Tutorial 3.1 Automatic optimization of crystal structure and elastic constants Read more about Tutorial 3.1 Automatic optimization of crystal structure and elastic constants
Tutorial 2.1 Equilibrium structure of a diatomic molecule and a bulk crystal Read more about Tutorial 2.1 Equilibrium structure of a diatomic molecule and a bulk crystal
Tutorial 1.1 Connecting to MARCC, basic Linux commands, and a test run Read more about Tutorial 1.1 Connecting to MARCC, basic Linux commands, and a test run
5.2) Limitations of DFT and post-DFT methods- Lecture 5.2 Read more about 5.2) Limitations of DFT and post-DFT methods- Lecture 5.2