Murat Keçeli, Fabiano Corsetti, Carmen Campos, José E. Román, Hong Zhang, Álvaro Vázquez-Mayagoitia, Peter Zapol, Albert F. Wagner. SIESTA-SIPs: Massively parallel spectrum-slicing eigensolver for an ab initio molecular dynamics package. Journal of Computational Chemistry, 39(22):1806-1814, 2018. [doi]
Abstract is missing.