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.