Since 18/01/2017

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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 theQuantum ESPRESSOdistribution

 

 https://www.materialscloud.org/learn/data/learn/files/Zem3D6woIu3r/1-4a_day1_handson_Giannozzi_.pdf

 

 

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