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.

Versions and Dependencies

• 6.2.1

  1. fftw/3.3.7

  2. impi/2017.1.132

  3. intel/17.0.1.132

• 6.3

  1. fftw/3.3.7

  2. impi/2017.1.132

  3. intel/17.0.1.132

Module

You can load the modules by:

module load quantum-espresso