This video guides you through installing and building Quantum ESPRESSO 7.3.1 from the source code on Ubuntu 22.04 Jammy Jellyfish. We will install pseudopotentials and do a small SCF calculation of NaCl crystal using pw.x


By the end of this video, you'll be able to run your own Quantum ESPRESSO simulations!


What you'll learn:
-------------------------------
Install prerequisite software like Fortran compilers and libraries.
Download and configure Quantum ESPRESSO source code.
Downloading and adding pseudopotentials
(Bonus) Set up a simple SCF simulation of NaCl crystal.


Software used
--------------------------------
Ubuntu 22.04
Quantum ESPRESSO 7.3.1

Links used in this video
---------------------------------------------
Quantum Espresso: https://gitlab.com/QEF/q-e/-/archive/...
SSSP Precision (version 1.3.0): https://www.materialscloud.org/discov...

Input File for NaCl Simulation: drive.google.com/file/d/1p_oTr1SMFDa7P-HUuEkV7EMuS0PnZ36y/view
-----------------------------------

Quantum espresso release: https://gitlab.com/QEF/q-e/-/releases

More pseudopotential libraries
--------------------------------------------------
https://www.materialscloud.org/discov...
https://www.materialscloud.org/discov...
https://www.physics.rutgers.edu/gbrv/...
https://www.quantum-espresso.org/pseu...
https://www.pseudo-dojo.org

Website
----------------------

https://nhaloorsooraj.github.io


Like and subscribe for more tutorials on scientific computing!