| Electronic band structures of the scheelite materials and Y Zhang, NAW Holzwarth, RT Williams Physical Review B 57 (20), 12738, 1998 | 536 | 1998 |
| 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 | 493* | 2016 |
| 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 | 487 | 2020 |
| 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 | 483 | 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 | 292 | 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 | 280 | 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 | 228 | 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 | 189 | 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 | 160 | 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 | 137 | 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 | 132 | 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 Li2SnS3: 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 | 85 | 1978 |
