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Title: ABINIT: Overview and focus on selected capabilities

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3];  [4]; ORCiD logo [3]; ORCiD logo [5]; ORCiD logo [6]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [7]; ORCiD logo [8]; ORCiD logo [9]; ORCiD logo [10]; ORCiD logo [11];  [3];  [12]; ORCiD logo [7]; ORCiD logo [13]; ORCiD logo [9]; ORCiD logo [11] more »;  [14]; ORCiD logo [9];  [3];  [15];  [6]; ORCiD logo [9];  [9];  [9]; ORCiD logo [16];  [3];  [7]; ORCiD logo [3]; ORCiD logo [7]; ORCiD logo [13]; ORCiD logo [17]; ORCiD logo [18]; ORCiD logo [3]; ORCiD logo [19]; ORCiD logo [20]; ORCiD logo [21]; ORCiD logo [22]; ORCiD logo [23]; ORCiD logo [24] « less
  1. Physics and Astronomy Department, West Virginia University, Morgantown, West Virginia 26506-6315, USA
  2. Corning Incorporated, SP-FR-05, Sullivan Park, Corning, New York 14831, USA
  3. CEA DAM-DIF, F-91297 Arpajon, France
  4. Dépt. de Chimie, Biochimie et Physique, Institut de recherche sur l’hydrogène, U. du Québec à Trois-Rivières, C.P. 500, Trois-Rivières (Quebec) G9A 5H7, Canada
  5. CEA DAM-DIF, F-91297 Arpajon, France, IMPMC, UMR 7590 of Sorbonne Université/CNRS/MNHN/IRD, Paris, France
  6. CEA DAM-DIF, F-91297 Arpajon, France, Theoretical Materials Physics/Q-Mat/CESAM, Université de Liège (B5), B-4000 Liège, Belgium
  7. Theoretical Materials Physics/Q-Mat/CESAM, Université de Liège (B5), B-4000 Liège, Belgium
  8. DEN, Service de Recherches de Métallurgie Physique, CEA, Université Paris-Saclay, F-91191 Gif-sur Yvette, France
  9. Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium
  10. IRIG-MEM, L-SIM, University Grenoble Alpes, CEA, F-38000 Grenoble, France
  11. Dépt. de Physique, U. de Montréal, C.P. 6128, Succursale Centre-Ville, Montréal H3C 3J7, Canada
  12. Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA, Department of Physics and Astronomy, Stony Brook University, Stony Brook, New York 11794-3800, USA, Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA
  13. Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium, European Theoretical Spectroscopy Facility,
  14. Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA, Mat-Sim Research LLC, P.O. Box 742, Murray Hill, New Jersey 07974, USA
  15. CEA, DEN, DEC, Cadarache, F-13108 Saint-Paul-Lez-Durance, France
  16. European Theoretical Spectroscopy Facility,, NanoMat/Q-Mat/CESAM, Université de Liège (B5), B-4000 Liège, Belgium
  17. Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193 Bellaterra, Spain
  18. Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193 Bellaterra, Spain, ICREA - Institució Catalana de Recerca i Estudis Avançats, 08010 Barcelona, Spain
  19. Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium, European Theoretical Spectroscopy Facility,, IMEC, Kapeldreef 75, B-3001 Leuven, Belgium
  20. Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium, Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, New York 12180, USA
  21. European Theoretical Spectroscopy Facility,, NanoMat/Q-Mat/CESAM, Université de Liège (B5), B-4000 Liège, Belgium, Catalan Institute of Nanoscience and Nanotechnology (ICN2), Campus UAB, Bellaterra, 08193 Barcelona, Spain
  22. CEA, DEN, DEC, Cadarache, F-13108 Saint-Paul-Lez-Durance, France, Department of Physics, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden
  23. Department of Chemistry, Dalhousie Univeristy, Halifax, Nova Scotia B3H 4R2, Canada
  24. Institute of Condensed Matter and Nanoscience, UCLouvain, B-1348 Louvain-la-Neuve, Belgium, European Theoretical Spectroscopy Facility,, Skolkovo Institute of Science and Technology, Moscow, Russia
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1606069
Grant/Contract Number:  
[SC0016176; SC0019491; AC02-05-CH11231]
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
[Journal Name: Journal of Chemical Physics Journal Volume: 152 Journal Issue: 12]; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Romero, Aldo H., Allan, Douglas C., Amadon, Bernard, Antonius, Gabriel, Applencourt, Thomas, Baguet, Lucas, Bieder, Jordan, Bottin, François, Bouchet, Johann, Bousquet, Eric, Bruneval, Fabien, Brunin, Guillaume, Caliste, Damien, Côté, Michel, Denier, Jules, Dreyer, Cyrus, Ghosez, Philippe, Giantomassi, Matteo, Gillet, Yannick, Gingras, Olivier, Hamann, Donald R., Hautier, Geoffroy, Jollet, François, Jomard, Gérald, Martin, Alexandre, Miranda, Henrique P. C., Naccarato, Francesco, Petretto, Guido, Pike, Nicholas A., Planes, Valentin, Prokhorenko, Sergei, Rangel, Tonatiuh, Ricci, Fabio, Rignanese, Gian-Marco, Royo, Miquel, Stengel, Massimiliano, Torrent, Marc, van Setten, Michiel J., Van Troeye, Benoit, Verstraete, Matthieu J., Wiktor, Julia, Zwanziger, Josef W., and Gonze, Xavier. ABINIT: Overview and focus on selected capabilities. United States: N. p., 2020. Web. doi:10.1063/1.5144261.
Romero, Aldo H., Allan, Douglas C., Amadon, Bernard, Antonius, Gabriel, Applencourt, Thomas, Baguet, Lucas, Bieder, Jordan, Bottin, François, Bouchet, Johann, Bousquet, Eric, Bruneval, Fabien, Brunin, Guillaume, Caliste, Damien, Côté, Michel, Denier, Jules, Dreyer, Cyrus, Ghosez, Philippe, Giantomassi, Matteo, Gillet, Yannick, Gingras, Olivier, Hamann, Donald R., Hautier, Geoffroy, Jollet, François, Jomard, Gérald, Martin, Alexandre, Miranda, Henrique P. C., Naccarato, Francesco, Petretto, Guido, Pike, Nicholas A., Planes, Valentin, Prokhorenko, Sergei, Rangel, Tonatiuh, Ricci, Fabio, Rignanese, Gian-Marco, Royo, Miquel, Stengel, Massimiliano, Torrent, Marc, van Setten, Michiel J., Van Troeye, Benoit, Verstraete, Matthieu J., Wiktor, Julia, Zwanziger, Josef W., & Gonze, Xavier. ABINIT: Overview and focus on selected capabilities. United States. doi:10.1063/1.5144261.
Romero, Aldo H., Allan, Douglas C., Amadon, Bernard, Antonius, Gabriel, Applencourt, Thomas, Baguet, Lucas, Bieder, Jordan, Bottin, François, Bouchet, Johann, Bousquet, Eric, Bruneval, Fabien, Brunin, Guillaume, Caliste, Damien, Côté, Michel, Denier, Jules, Dreyer, Cyrus, Ghosez, Philippe, Giantomassi, Matteo, Gillet, Yannick, Gingras, Olivier, Hamann, Donald R., Hautier, Geoffroy, Jollet, François, Jomard, Gérald, Martin, Alexandre, Miranda, Henrique P. C., Naccarato, Francesco, Petretto, Guido, Pike, Nicholas A., Planes, Valentin, Prokhorenko, Sergei, Rangel, Tonatiuh, Ricci, Fabio, Rignanese, Gian-Marco, Royo, Miquel, Stengel, Massimiliano, Torrent, Marc, van Setten, Michiel J., Van Troeye, Benoit, Verstraete, Matthieu J., Wiktor, Julia, Zwanziger, Josef W., and Gonze, Xavier. Tue . "ABINIT: Overview and focus on selected capabilities". United States. doi:10.1063/1.5144261.
@article{osti_1606069,
title = {ABINIT: Overview and focus on selected capabilities},
author = {Romero, Aldo H. and Allan, Douglas C. and Amadon, Bernard and Antonius, Gabriel and Applencourt, Thomas and Baguet, Lucas and Bieder, Jordan and Bottin, François and Bouchet, Johann and Bousquet, Eric and Bruneval, Fabien and Brunin, Guillaume and Caliste, Damien and Côté, Michel and Denier, Jules and Dreyer, Cyrus and Ghosez, Philippe and Giantomassi, Matteo and Gillet, Yannick and Gingras, Olivier and Hamann, Donald R. and Hautier, Geoffroy and Jollet, François and Jomard, Gérald and Martin, Alexandre and Miranda, Henrique P. C. and Naccarato, Francesco and Petretto, Guido and Pike, Nicholas A. and Planes, Valentin and Prokhorenko, Sergei and Rangel, Tonatiuh and Ricci, Fabio and Rignanese, Gian-Marco and Royo, Miquel and Stengel, Massimiliano and Torrent, Marc and van Setten, Michiel J. and Van Troeye, Benoit and Verstraete, Matthieu J. and Wiktor, Julia and Zwanziger, Josef W. and Gonze, Xavier},
abstractNote = {},
doi = {10.1063/1.5144261},
journal = {Journal of Chemical Physics},
number = [12],
volume = [152],
place = {United States},
year = {2020},
month = {3}
}

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