Quantum Espresso is a free suite of code hacked together to do amazing electronic structure calculations. It is modular and versatile but is also frustratingly fragmented. I will log here very detailed instructions to run different components of the code. I will by no means try to be comprehensive, but try my best to make each section self-contained.
- Single Atom Calculation (Pseudopotential Generation)
- Basic DFT Calculation (pwscf)
- Supercell Construction
- Visualization of Orbitals
- Phonon Package
- Understand Fast Fourier Transform
- Note: I am using espresso-5.3