This tool version is unpublished and cannot be run. If you would like to have this version staged, you can put a request through HUB Support.
This tool enables nanoHUB users to run quantum ESPRESSO, a powerful electronic structure code.
Users can perform total energy calculations, energy minimization to predict structures, obtain the Kohn-Sham band structure of periodic systems as well as phonons.
Version 2 includes: – Energy evolution plot – SCF output – Cell and force relax – Output of Stress and forces – Simultaneous bandstructure and phonon calculations