Software - quantum-espresso

Description

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.

Website

http://quantum-espresso.org

Variants installed

1. quantum-espresso 6.6

   • Compiler: gcc 11.2.0
   • Architecture: zen2
   • Supports MPI
   • Supports OpenMP

   Spack Command

   $ spack load quantum-espresso/xutr7do