CRYSTAL

(under provided license)

Description

CRYSTAL is a quantum chemistry ab initio program, designed primarily for calculations on crystals (3 dimensions), slabs (2 dimensions) and polymers (1 dimension) using translational symmetry, but it can be used for single molecules.

Installations

MareNostrum 4:
Versions:
17_1.0.2
17
14

Nord3:
Versions:
14
090524