Roberto Car, Alfredo Pasquarello, Gabriele Sclauzero, Nicola Marzari, Lorenzo Paulatto, Matteo Cococcioni
QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The ac ...
2009
