Other codes

We are thankful to the whole open-source community, and in particular we want to acknowledge some other great anharmonic lattice dynamics related projects. If using kALDo example, you If, while you are running kALDo examples, you use any of these codes, please don’t forget to cite them.

  • ASE: A. H. Larsen, J. J. Mortensen, J. Blomqvist, I. E. Castelli, R. Christensen, M. Dułak, J. Friis, M. N. Groves, B. Hammer, C. Hargus, E. D. Hermes, P. C. Jennings, P. B. Jensen, J. Kermode, J. R. Kitchin, E. L. Kolsbjerg, J. Kubal, K. Kaasbjerg, S. Lysgaard, J. B. Maronsson, T. Maxson, T. Olsen, L. Pastewka, A. Peterson, C. Rostgaard, J. Schiøtz, O. Schütt, M. Strange, K. S. Thygesen, T. Vegge, L. Vilhelmsen, M. Walter, Z. Zeng, and K. W. Jacobsen, “The atomic simulation environment—a python library for work- ing with atoms,” Journal of Physics: Condensed Matter 29, 273002 (2017).

  • LAMMPS: S. Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dynamics, J Comp Phys, 117, 1-19 (1995).

  • Quantum Espresso: P Giannozzi, O Andreussi, T Brumme, O Bunau, M Buongiorno Nardelli, M Calandra, R Car, C Cavazzoni, D Ceresoli, M Cococcioni, N Colonna, I Carnimeo, A Dal Corso, S de Gironcoli, P Delugas, R A DiStasio Jr, A Ferretti, A Floris, G Fratesi, G Fugallo, R Gebauer, U Gerstmann, F Giustino, T Gorni, J Jia, M Kawamura, H-Y Ko, A Kokalj, E Küçükbenli, M Lazzeri, M Marsili, N Marzari, F Mauri, N L Nguyen, H-V Nguyen, A Otero-de-la-Roza, L Paulatto, S Poncé, D Rocca, R Sabatini, B Santra, M Schlipf, A P Seitsonen, A Smogunov, I Timrov, T Thonhauser, P Umari, N Vast, X Wu and S Baroni, J.Phys.:Condens.Matter 29, 465901 (2017)

  • HiPhive: The Hiphive Package for the Extraction of High‐Order Force Constants by Machine Learning, Fredrik Eriksson, Erik Fransson, and Paul Erhart, Advanced Theory and Simulations, (2019)