QuantumEspresso

Software 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.

Software Home Page: QuantumEspresso

Software Documentation:

To run this software in a Linux environment on LCC,
run the command(s):

#To load module, You will need to load all module(s) on any one of the lines below before the "ccs/QuantumEspresso/6.4.1" module is available to load.
(if not already loaded by default)
intel/18.0.3.222 impi/2018.3.222
intel/18.0.3.222 impi/2019.3.199
intel/18.0.3.222 impi/2019.4.243
intel/19.0.3.199 impi/2018.3.222
intel/19.0.3.199 impi/2019.3.199
intel/19.0.3.199 impi/2019.4.243
intel/19.0.4.243 impi/2018.3.222
intel/19.0.4.243 impi/2019.3.199
intel/19.0.4.243 impi/2019.4.243

module load ccs/QuantumEspresso/6.4.1

#To unload module
module unload ccs/QuantumEspresso/6.4.1