User’s Guide for Quantum ESPRESSO (version 4.2.0) Contents 1 Introduction 1.1 What can Quantum 1.2 People . . . . . . . . 1.3 Contacts . . . . . . . 1.4 Terms of use .…

Slide 1 Quantum-ESPRESSO: The SCF Loop and Some Relevant Input Parameters Sandro Scandolo ICTP (most slides courtesy of Shobhana Narasimhan) Slide 2 ASESMA-2010 2 www.quantum-espresso.org…

Grids and Portals for VLAB Marlon Pierce Community Grids Lab Indiana University Introduction This will be a very high level talk. Half-day tutorial material on Grids and…

Virtual Laboratory for Earth and Planetary Materials, VLab Renata Wenztcovitch, Yousef Saad, Ilja Siepmann, Don Truhlar, Dave Yuen (Minnesota), Philip Allen (Stony Brook),…

Userâs Guide for Quantum ESPRESSO (version 5.0.2) Contents 1 Introduction 1 1.1 People . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .…