Siesta

Software description

SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. SIESTA’s efficiency stems from the use of a basis set of strictly-localized atomic orbitals.

Homepage: departments.icmab.es/leem/siesta/

NSC documentation

Available Modules

5.0.0-hpc1-intel-2023a-eb

Installation of Siesta version 5.0.0.

Load with:

[user@system ~]$ module load Siesta/5.0.0-hpc1-intel-2023a-eb

5.0.0-b1-hpc1-intel-2023a-eb

Installation of Siesta version 5.0.0-b1.

Load with:

[user@system ~]$ module load Siesta/5.0.0-b1-hpc1-intel-2023a-eb

4.1-b4-nsc2-intel-2018a-eb-compat-el7

Note: This module uses an EL7 compatibility container.

Installation of Siesta version 4.1-b4.

Load with:

[user@system ~]$ module load Siesta/4.1-b4-nsc2-intel-2018a-eb-compat-el7

4.1-b4-nsc1-intel-2018a-eb-compat-el7

Note: This module uses an EL7 compatibility container.

Installation of Siesta version 4.1-b4.

Load with:

[user@system ~]$ module load Siesta/4.1-b4-nsc1-intel-2018a-eb-compat-el7

4.1-b3-nsc1-intel-2018a-eb-compat-el7

Note: This module uses an EL7 compatibility container.

Installation of Siesta version 4.1-b3.

Load with:

[user@system ~]$ module load Siesta/4.1-b3-nsc1-intel-2018a-eb-compat-el7

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

Note: This module uses an EL7 compatibility container.

Installation of Siesta version 4.1.5.

Load with:

[user@system ~]$ module load Siesta/4.1.5-nsc1-intel-2018a-eb-compat-el7

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

Note: This module uses an EL7 compatibility container.

Installation of Siesta version 4.0.1.

Load with:

[user@system ~]$ module load Siesta/4.0.1-nsc1-intel-2018a-eb-compat-el7