ABINIT: Overview and focus on selected capabilities.
Romero AH, Allan DC, Amadon B, Antonius G, Applencourt T, Baguet L, Bieder J, Bottin F, Bouchet J, Bousquet E, Bruneval F, Brunin G, Caliste D, Côté M, Denier J, Dreyer C, Ghosez P, Giantomassi M, Gillet Y, Gingras O, Hamann DR, Hautier G, Jollet F, Jomard G, Martin A, Miranda HPC, Naccarato F, Petretto G, Pike NA, Planes V, Prokhorenko S, Rangel T, Ricci F, Rignanese GM, Royo M, Stengel M, Torrent M, van Setten MJ, Van Troeye B, Verstraete MJ, Wiktor J, Zwanziger JW, Gonze X.
Romero AH, et al.
J Chem Phys. 2020 Mar 31;152(12):124102. doi: 10.1063/1.5144261.
J Chem Phys. 2020.
PMID: 32241118
It then focuses on selected capabilities that might not be present in the majority of electronic structure packages either among planewave codes or, in general, treatment of strongly correlated materials using DMFT; materials under finite electric fields; properties at nuclei (el …
It then focuses on selected capabilities that might not be present in the majority of electronic structure packages either among planewave c …