Electronic band structures of the scheelite materials and Y Zhang, NAW Holzwarth, RT Williams
Physical Review B 57 (20), 12738, 1998
536 1998 The ABINIT project: Impact, environment and recent developments X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ...
Computer Physics Communications 248, 107042, 2020
502 2020 Mj vansetten, v. van speybroeck, jm wills, jr yates, gx zhang, s. cottenier, reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Bjorkman, P Blaha, S Blugel, V Blum, ...
Science 351, 1415ŰU1481, 2016
495 * 2016 A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I: atompaw for generating atom-centered functions NAW Holzwarth, AR Tackett, GE Matthews
Computer Physics Communications 135 (3), 329-347, 2001
484 2001 Comparison of the projector augmented-wave, pseudopotential, and linearized augmented-plane-wave formalisms for density-functional calculations of solids NAW Holzwarth, GE Matthews, RB Dunning, AR Tackett, Y Zeng
Physical Review B 55 (4), 2005, 1997
293 1997 Generation of Projector Augmented-Wave atomic data: A 71 element validated table in the XML format F Jollet, M Torrent, N Holzwarth
Computer Physics Communications 185 (4), 1246-1254, 2014
284 2014 Electronic structure and optical properties of CdMoO 4 and CdWO 4 Y Abraham, NAW Holzwarth, RT Williams
Physical Review B 62 (3), 1733, 2000
229 2000 X-ray form factors and the electronic structure of graphite NAW Holzwarth, SG Louie, S Rabii
Physical Review B 26 (10), 5382, 1982
224 1982 Structures, Li+ mobilities, and interfacial properties of solid electrolytes Li 3 PS 4 and Li 3 PO 4 from first principles ND Lepley, NAW Holzwarth, YA Du
Physical Review B 88 (10), 104103, 2013
190 2013 Theoretical study of lithium graphite. I. Band structure, density of states, and Fermi-surface properties NAW Holzwarth, S Rabii, LA Girifalco
Physical Review B 18 (10), 5190, 1978
184 1978 Electronic structure of FePO 4, LiFePO 4, and related materials P Tang, NAW Holzwarth
Physical Review B 68 (16), 165107, 2003
177 2003 A new crystalline LiPON electrolyte: Synthesis, properties, and electronic structure K Senevirathne, CS Day, MD Gross, A Lachgar, NAW Holzwarth
Solid State Ionics 233, 95-101, 2013
162 2013 Lithium-intercalated graphite: Self-consistent electronic structure for stages one, two, and three NAW Holzwarth, SG Louie, S Rabii
Physical Review B 28 (2), 1013, 1983
138 1983 A Projector Augmented Wave (PAW) code for electronic structure calculations, Part II: pwpaw for periodic solids in a plane wave basis AR Tackett, NAW Holzwarth, GE Matthews
Computer Physics Communications 135 (3), 348-376, 2001
133 2001 Mechanisms of Li+ diffusion in crystalline γ-and β− Li 3 P O 4 electrolytes from first principles YA Du, NAW Holzwarth
Physical Review B 76 (17), 174302, 2007
120 2007 Nonrelativistic phase-shift analysis of impurity scattering in noble-metal hosts PT Coleridge, NAW Holzwarth, MJG Lee
Physical Review B 10 (4), 1213, 1974
103 1974 Fast Lithium Ion Conduction in Li2 SnS3 : Synthesis, Physicochemical Characterization, and Electronic Structure JA Brant, DM Massi, NAW Holzwarth, JH MacNeil, AP Douvalis, T Bakas, ...
Chemistry of Materials 27 (1), 189-196, 2015
96 2015 Local Spin-Density Description of Multiple Metal-Metal Bonding: Mo 2 and Cr 2 J Bernholc, NAW Holzwarth
Physical Review Letters 50 (19), 1451, 1983
90 1983 Electronic structure of vacancy defects in MgO crystals QS Wang, NAW Holzwarth
Physical Review B 41 (5), 3211, 1990
87 1990 Magnetic Spin Susceptibility of As F 5-Intercalated Graphite: Determination of the Density of States at the Fermi Energy BR Weinberger, J Kaufer, AJ Heeger, JE Fischer, M Moran, ...
Physical Review Letters 41 (20), 1417, 1978
86 1978