DFT: Equilibrium structure and binding energy of a diatomic molecule Cl2 (Tutorial 2.1) (Giustino) Read more about DFT: Equilibrium structure and binding energy of a diatomic molecule Cl2 (Tutorial 2.1) (Giustino)
DFT:Basic Linux commands, compilation of the Quantum Espresso package, and an example Si calculation (Tutorial 1.1) (Giustino) Read more about DFT:Basic Linux commands, compilation of the Quantum Espresso package, and an example Si calculation (Tutorial 1.1) (Giustino)
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