Quantum ESPRESSO tutorial: Self-Consistent Calculations,Supercells, Structural Optimization

What can I learn in this tutorial?

1. How to run PWscf (pw.x) in self-consistent mode for Silicon 

2. How to deal with metals ( Aluminum ) 

3. How to deal with Ultrasoft pseudopotentials and with spin polarization ( Iron ) 

4. How to set up a supercell and optimize a structure ( Graphene ) 

More info can be found in•on-line manuals athttp://www.quantum-espresso.org/users-manual•Doc/ 

subdirectories in the Quantum ESPRESSO distributions


http://indico.ictp.it/event/7921/session/320/contribution/1261/material/0/0.pdf