changes.mady.by.user Ismael Fernandez
Saved on Oct 30, 2019
Purpose: Electronic Structure CalculationsLatest version: 17Licence: Must be provided by the user. Proprietary _ext-linkWebsite: http://www.crystal.unito.it/ _ext-link
CRYSTAL performs ab initio calculations of the ground state energy, energy gradient, electronic wave function and properties of periodic systems. Hartree-Fock or KohnSham Hamiltonians can be used.
