First-Principles Workshop 2016 - Tohoku The aim of this workshop is to bring together graduate students and young scientists working with QE, as well as general people with interest in QE The workshop will cover basic concepts and recent advances and developments of QE, including geometry optimizations, band structure, linear-response theory and phonons, transport, and
Quantum Espresso Hands-on Tutorial - Tohoku Quantum Espresso Hands-on Tutorial 1 What we will do today Hands-on #1: Total energy and relaxations for Silicon Basic self consistent calculation (scf) Convergence of total energy plane waves cutoff (ecut) Convergence of total energy BZ sampling (k-point) Lattice constant (vc-relax) silicon Files for practice