Lecture Notes:

• Approximations in DFT 1/2 [ODP, PDF]
• Approximations in DFT 2/2 [ODP, PDF]
• QE tutorials [ODP, PDF]

Input files:

• Si_bulk
• H2O
• Graphene Oxide

How to Install QE on your PC:

LINUX
LinuxMint or Ubuntu
use “synaptic” to install “quantum-espresso” and “xcrysden”
or type
sudo apt-get install quantum-espresso
sudo apt-get install xcrysden

MacOSX
Use MacPorts, open the terminal and type
sudo port install quantum-espresso
see here: https://ports.macports.org/port/quantum-espresso/

WINDOWS
download “putty” or “MobaXterm”
https://www.putty.org/ , https://mobaxterm.mobatek.net/
we will provide a server with QE and Octopus installed

Install the Quantum Mobile virtual machine
https://quantum-mobile.readthedocs.io/en/latest/