OpenMX

Software description

Open source package for materials exploration at nano-scale based on DFT with norm-conserving pseudopotentials and i pseudo-atomic localized basis functions.

Homepage: www.openmx-square.org/

Available Modules

3.9.9-nsc1-intel-2018a-eb-compat-el7

Note: This module uses an EL7 compatibility container.

Installation of OpenMX version 3.9.9.

Load with:

[user@system ~]$ module load OpenMX/3.9.9-nsc1-intel-2018a-eb-compat-el7

3.8.5-nsc1-intel-2018a-eb-compat-el7

Note: This module uses an EL7 compatibility container.

Installation of OpenMX version 3.8.5.

Load with:

[user@system ~]$ module load OpenMX/3.8.5-nsc1-intel-2018a-eb-compat-el7