Source function and plane waves: Toward complete bader analysis - Tantardini, Christian; Ceresoli, Davide; Benassi, Enrico (Journal of computational chemistry, 2016)
Keywords: Algorithms; Bader analysis; Comparative analysis; CRITIC2; Electrons; Molecules; plane waves; pseudo-potential; quantum espresso; source function; pseudo-potential; plane waves; CRITIC2; source function; Bader analysis; quantum espresso