[1] Anisimov V V, Zaanen J and Andersen O K 1991 Phys. Rev. B 44 943 [2] Georges A, Kotliar G, Krauth W and Rozenberg M J 1996 Rev. Mod. Phys. 68 13 [3] Kotliar G, Savrasov S Y, Haule K, Oudovenko V S, Parcollet O and Marianetti C A 2006 Rev. Mod. Phys. 78 865 [4] Held K 2007 Adv. Phys. 56 829 [5] Metzner W and Vollhardt D 1989 Phys. Rev. Lett. 62 324 [6] Anisimov V I, Poteryaev A I, Korotin M A, Anokhin A O and Kotliar G 1997 J. Phys. Condens. Matter 9 7359 [7] Lichtenstein A I and Katsnelson M I 1998 Phys. Rev. B 57 6884 [8] Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048 [9] Becke A D 1993 J. Chem. Phys. 98 5648 [10] Heyd J, Scuseria G E and Ernzerhof M 2003 J. Chem. Phys. 118 8207 [11] Li C, Zheng X, Su N Q and Yang W 2018 Natl. Sci. Rev. 5 203 [12] Su N Q, Mahler A and Yang W 2020 J. Phys. Chem. Lett. 11 1528 [13] Su N Q, Li C and Yang W 2018 Proc. Natl. Acad. Sci. USA 115 9678 [14] Anisimov V I, Solovyev I V, Korotin M A, Czyzyk M T and Sawatzky G A 1993 Phys. Rev. B 48 16929 [15] Savrasov S Y, Kotliar G and Abrahams E 2001 Nature 410 793 [16] Dai X, Savrasov S Y, Kotliar G, Migliori A, Ledbetter H and Abrahams E 2003 Science 300 953 [17] Shim J H, Haule K and Kotliar G 2007 Nature 446 513 [18] Shim J H, Haule K and Kotliar G 2007 Science 318 1615 [19] Savrasov S Y and Kotliar G 2004 Phys. Rev. B 69 245101 [20] Hampel A, Beck S and Ederer C 2020 Phys. Rev. Res. 2 033088 [21] Beck S, Hampel A, Parcollet O, Ederer C and Georges A 2022 J. Phys. Condens. Matter 34 235601 [22] Plekhanov E, Hasnip P, Sacksteder V, Probert M, Clark S J, Refson K and Weber C 2018 Phys. Rev. B 98 075129 [23] Marzari N and Vanderbilt D 1997 Phys. Rev. B 56 12847 [24] Marzari N, Mostofi A A, Yates J R, Souza I and Vanderbilt D 2012 Rev. Mod. Phys. 84 1419 [25] Mostofi A A, Yates J R, Lee Y S, Souza I, Vanderbilt D and Marzari N 2008 Comput. Phys. Commun. 178 685 [26] Mostofi A A, Yates J R, Pizzi G, Lee Y S, Souza I, Vanderbilt D and Marzari N 2014 Comput. Phys. Commun. 185 2309 [27] Schüler M, Peil O E, Kraberger G J, et al. 2018 J. Phys. Condens. Matter 30 475901 [28] Amadon B 2012 J. Phys. Condens. Matter 24 075604 [29] Gonze X, Jollet F, Abreu Araujo F, Adams D, et al. 2016 Comput. Phys. Commun. 205 106 [30] Haule K, Yee C H and Kim K 2010 Phys. Rev. B 81 195107 [31] Bhandary S, Assmann E, Aichhorn M and Held K 2016 Phys. Rev. B 94 155131 [32] Granäs O, Di Marco I, Thunström P, Nordström L, Eriksson O, Björkman T and Wills J 2012 Comput. Mater. Sci. 55 295 [33] Soler J M, Artacho E, Gale J D, García A, Junquera J, Ordejón P and Sánchez-Portal D 2002 J. Phys. Condens. Matter 14 2745 [34] Delley B 2000 J. Chem. Phys. 113 7756 [35] Blum V, Gehrke R, Hanke F, Havu P, Havu V, Ren X, Reuter K and Scheffler M 2009 Comput. Phys. Commun. 180 2175 [36] Li P, Liu X, Chen M, Lin P, Ren X, Lin L, Yang C and He L 2016 Comput. Mater. Sci. 112 503 [37] Sim J H and Han M J 2019 Phys. Rev. B 100 115151 [38] Qu X, Xu P, Li R, Li G, He L and Ren X 2022 J. Chem. Theory Comput. 18 5589 [39] Pulay P 1980 Chem. Phys. Lett. 73 393 [40] Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169 [41] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865 [42] Werner P, Comanac A, De’ Medici L, Troyer M and Millis A J 2006 Phys. Rev. Lett. 97 076405 [43] Li G 2015 Phys. Rev. B 91 165134 [44] Huang L, Wang Y, Meng Z Y, Du L, Werner P and Dai X 2015 Comput. Phys. Commun. 195 140 [45] Huang L 2017 Comput. Phys. Commun. 221 [46] iQIST [47] Haule K 2007 Phys. Rev. B 75 155113 [48] CTQMC impurity solver of eDMFT [49] Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188 [50] Lechermann F, Georges A, Poteryaev A, Biermann S, Posternak M, Yamasaki A and Andersen O K 2006 Phys. Rev. B 74 125120 [51] Amadon B, Lechermann F, Georges A, Jollet F, Wehling T O and Lichtenstein A I 2008 Phys. Rev. B 77 205112 [52] Pavarini E, Biermann S, Poteryaev A, Lichtenstein A I, Georges A and Andersen O K 2004 Phys. Rev. Lett. 92 176403 [53] Anisimov V I and Lukoyanov A V 2014 Acta Crystallogr. Sect. C Struct. Chem. 70 137 [54] Anisimov V I, Kondakov D E, Kozhevnikov A V, et al. 2005 Phys. Rev. B 71 125119 [55] Nekrasov I A, Held K, Keller G, et al. 2006 Phys. Rev. B 73 155112 [56] Nekrasov I A, Keller G, Kondakov D E, Kozhevnikov A V, Pruschke T, Held K, Vollhardt D and Anisimov V I 2005 Phys. Rev. B 72 155106 [57] Sekiyama A, Fujiwara H, Imada S, et al. 2004 Phys. Rev. Lett. 93 156402 [58] Ren X, Leonov I, Keller G, Kollar M, Nekrasov I and Vollhardt D 2006 Phys. Rev. B 74 195114 [59] Kuneš J, Anisimov V I, Lukoyanov A V and Vollhardt D 2007 Phys. Rev. B 75 165115 [60] Sawatzky G A and Allen J W 1984 Phys. Rev. Lett. 53 2339 [61] Held K, McMahan A K and Scalettar R T 2001 Phys. Rev. Lett. 87 276404 [62] Bieder J and Amadon B 2014 Phys. Rev. B 89 195132 [63] Amadon B, Biermann S, Georges A and Aryasetiawan F 2006 Phys. Rev. Lett. 96 066402 [64] Grioni M, Weibel P, Malterre D, Baer Y and Duò L 1997 Phys. Rev. B 55 2056 [65] Weschke E, Laubschat C, Simmons T, Domke M, Strebel O and Kaindl G 1991 Phys. Rev. B 44 8304 [66] Wen X D, Martin R L, Henderson T M and Scuseria G E 2013 Chem. Rev. 113 1063 [67] Yin Q and Savrasov S Y 2008 Phys. Rev. Lett. 100 225504 [68] Yin Q, Kutepov A, Haule K, Kotliar G, Savrasov S Y and Pickett W E 2011 Phys. Rev. B 84 195111 [69] Huang L, Wang Y and Werner P 2017 Europhys. Lett. 119 57007 [70] Baer Y and Schoenes J 1980 Solid State Commun. 33 885 [71] Barrett S A, Jacobson A J, Tofield B C and Fender B E F 1982 Acta Crystallogr. Sect. B Struct. Crystallogr. Cryst. Chem. 38 2775 [72] https://kaist-elst.github.io/DMFTpack/ |