QUANTUMESPRESSO

Description

QE 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.

Installations

Nord3:
Versions:
7.2
5.1.1
5.0.2

MinoTauro:
Versions:
6.7

MareNostrum 4:
Versions:
bench
7.2
7.1-new
7.1
6.8
6.5
6.4.1_intelscalapack
6.4.1
6.2.1
6.2-environ
6.2
6.1-hdf5-environ-0.2
6.1-hdf5
6.1-environ-0.2
6.1
5.3.0

CTE-POWER:
Versions:
6.7
6.5
6.4.1
6.2.1