How to calculate the DOS and PDOS for the system?ΒΆ
The DOS and PDOS can help us understand the electronic structure of the material or specific atom. These information can be very helpful in understanding the activity of certain reactions among different catalysts and also analyze the bonding between atoms.
The DOS and PDOS of the system can be calculated from both Quantum Espresso (DOS (dos.x) and PDOS (projwfc.x)) and VASP.