Large-Scale Condensed Matter DFT Simulations: Performance and Capabilities of the CRYSTAL Code by Erba, A, Baima, J, Bush, I, Orlando, R, Dovesi, R

The CRYSTAL code, 1976–2020 and beyond, a long story by Dovesi, R, Pascale, F, Civalleri, B, Doll, K, Harrison, NM, Bush, I, D'Arco, P, Noël, Y, Rérat, M, Carbonnière, P, Causà, M, Salustro, S, Lacivita, V, Kirtman, B, Ferrari, AM, Gentile, FS, Baima, J, Ferrero, M, Demichelis, R, De La Pierre, M