SIESTA-PEXSI: massively parallel method for efficient and accurate ab initio materials simulation without matrix diagonalization

Journal 2014

URL:  https://iopscience.iop.org/article/10.1088/0953-8984/26/30/305503

Authors: Lin, Lin / Garcia, Alberto / Huhs, Georg / Yang, Chao

Research Lines: Ab-Initio Electronic Structure Methods

Publication: Journal of Physics: Condensed Matter

Volume / Number / Pagination: 26 / 30 / 305503