Source: wikibot/siesta-computer-program

= SIESTA (computer program)
{wiki=SIESTA_(computer_program)}

SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is a computer program designed for performing electronic structure calculations and simulations of materials at the atomic scale. It uses density functional theory (DFT) and employs a linear combination of atomic orbitals (LCAO) to represent the electronic wave functions.