W. Kohn and L. Sham, Phys. Rev. 140, A1133 (1965). PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
X. Gonze and C. Lee, Phys. Rev. B 55, 10355 (1997). PRBMDO 0163-1829 10.1103/PhysRevB.55.10355
S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. 73, 515 (2001). RMPHAT 0034-6861 10.1103/RevModPhys.73.515
F. Giustino, M. L. Cohen, and S. G. Louie, Phys. Rev. B 76, 165108 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.76.165108
J. Sjakste, N. Vast, M. Calandra, and F. Mauri, Phys. Rev. B 92, 054307 (2015). PRBMDO 1098-0121 10.1103/PhysRevB.92.054307
S. Poncé, E. R. Margine, C. Verdi, and F. Giustino, Comput. Phys. Commun. 209, 116 (2016). CPHCBZ 0010-4655 10.1016/j.cpc.2016.07.028
L. A. Agapito and M. Bernardi, Phys. Rev. B 97, 235146 (2018). PRBMDO 2469-9950 10.1103/PhysRevB.97.235146
M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Oxford University Press, Oxford, 1954).
H. Fröhlich, Adv. Phys. 3, 325 (1954). ADPHAH 0001-8732 10.1080/00018735400101213
C. Verdi and F. Giustino, Phys. Rev. Lett. 115, 176401 (2015). PRLTAO 0031-9007 10.1103/PhysRevLett.115.176401
P. Vogl, Phys. Rev. B 13, 694 (1976). PLRBAQ 0556-2805 10.1103/PhysRevB.13.694
M. Royo and M. Stengel, Phys. Rev. X 9, 021050 (2019). PRXHAE 2160-3308 10.1103/PhysRevX.9.021050
M. Stengel, Phys. Rev. B 88, 174106 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.174106
R. M. Martin, Phys. Rev. B 5, 1607 (1972). PLRBAQ 0556-2805 10.1103/PhysRevB.5.1607
More specifically, (Equation presented), with (Equation presented) the lattice-periodic part computed with DFPT [17].
G. Brunin, H. P. C. Miranda, M. Giantomassi, M. Royo, M. Stengel, M. J. Verstraete, X. Gonze, G.-M. Rignanese, and G. Hautier, companion paper, Phys. Rev. B 102 094308 (2020). PRBMDO 2469-9950 10.1103/PhysRevB.102.094308
C. Graham, J. Pierrus, and R. Raab, Mol. Phys. 67, 939 (1989). MOPHAM 0026-8976 10.1080/00268978900101551
See Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevLett.125.136601 for more information about computational details and results, which includes Refs. [20-22].
M. J. Van Setten, M. Giantomassi, E. Bousquet, M. J. Verstraete, D. R. Hamann, X. Gonze, and G.-M. Rignanese, Comput. Phys. Commun. 226, 39 (2018). CPHCBZ 0010-4655 10.1016/j.cpc.2018.01.012
D. R. Hamann, Phys. Rev. B 88, 085117 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.085117
N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991); PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992); PRBMDO 0163-1829 10.1103/PhysRevB.45.13244
D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980). PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
X. Gonze, F. Jollet, F. A. Araujo, D. Adams, B. Amadon, T. Applencourt, C. Audouze, J.-M. Beuken, J. Bieder, A. Bokhanchuk, Comput. Phys. Commun. 205, 106 (2016). CPHCBZ 0010-4655 10.1016/j.cpc.2016.04.003
X. Gonze, B. Amadon, G. Antonius, F. Arnardi, L. Baguet, J.-M. Beuken, J. Bieder, F. Bottin, J. Bouchet, E. Bousquet, Comput. Phys. Commun. 248, 107042 (2020). CPHCBZ 0010-4655 10.1016/j.cpc.2019.107042
A. H. Romero, D. C. Allan, B. Amadon, G. Antonius, T. Applencourt, L. Baguet, J. Bieder, F. Bottin, J. Bouchet, E. Bousquet, J. Chem. Phys. 152, 124102 (2020). JCPSA6 0021-9606 10.1063/1.5144261
A. Eiguren and C. Ambrosch-Draxl, Phys. Rev. B 78, 045124 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.78.045124
L. Chaput, A. Togo, and I. Tanaka, Phys. Rev. B 100, 174304 (2019). PRBMDO 2469-9950 10.1103/PhysRevB.100.174304
V. A. Jhalani, J.-J. Zhou, J. Park, C. E. Dreyer, and M. Bernardi, following Letter, Phys. Rev. Lett. 125, 136602 (2020); PRLTAO 0031-9007 10.1103/PhysRevLett.125.136602
J. Park, J.-J. Zhou, V. A. Jhalani, C. E. Dreyer, and M. Bernardi, companion paper, Phys. Rev. B 102, 125203 (2020). PRBMDO 2469-9950 10.1103/PhysRevB.102.125203
G. K. H. Madsen, J. Carrete, and M. J. Verstraete, Comput. Phys. Commun. 231, 140 (2018). CPHCBZ 0010-4655 10.1016/j.cpc.2018.05.010
S. Poncé, E. R. Margine, and F. Giustino, Phys. Rev. B 97, 121201(R) (2018). PRBMDO 2469-9950 10.1103/PhysRevB.97.121201
M. Royo, K. R. Hahn, and M. Stengel, https://arxiv.org/abs/2004.08875.
