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A brief introduction to the ABINIT software package

  1. Gonze X., Beuken J.-M., Caracas R., Detraux F., Fuchs M., Rignanese G.-M., Sindic L., Verstraete M., Zerah G., Jollet F., Torrent M., Roy A., Mikami M., Ghosez Ph., Raty J.-Y., Allan D.C., First-principles computation of material properties: the ABINIT software project, 10.1016/s0927-0256(02)00325-7
  2. Rignanese G.-M., Detraux F., Gonze X., Bongiorno Angelo, Pasquarello Alfredo, Dielectric Constants of Zr Silicates: A First-Principles Study, 10.1103/physrevlett.89.117601
  3. Oganov Artem R., Gillan Michael J., Price G. David, Ab initio lattice dynamics and structural stability of MgO, 10.1063/1.1570394
  4. Clatterbuck D. M., Krenn C. R., Cohen Marvin L., Morris J. W., Phonon Instabilities and the Ideal Strength of Aluminum, 10.1103/physrevlett.91.135501
  5. Verstraete Matthieu, Gonze Xavier, First-principles calculation of the electronic, dielectric, and dynamical properties ofCaF2, 10.1103/physrevb.68.195123
  6. Caracas Razvan, Gonze Xavier, Ab initiodetermination of the ground-state properties ofCa2MgSi2O7åkermanite, 10.1103/physrevb.68.184102
  7. Serrano J., Romero A. H., Manjón F. J., Lauck R., Cardona M., Rubio A., Pressure dependence of the lattice dynamics of ZnO: Anab initioapproach, 10.1103/physrevb.69.094306
  8. Finocchi Fabio, Barbier Antoine, Jupille Jacques, Noguera Claudine, Stability of Rocksalt (111) Polar Surfaces: Beyond the Octopole, 10.1103/physrevlett.92.136101
  9. Oganov Artem R., Ono Shigeaki, Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D″ layer, 10.1038/nature02701
  10. Hohenberg P., Kohn W., Inhomogeneous Electron Gas, 10.1103/physrev.136.b864
  11. Kohn W., Sham L. J., Self-Consistent Equations Including Exchange and Correlation Effects, 10.1103/physrev.140.a1133
  12. Baroni Stefano, Giannozzi Paolo, Testa Andrea, Green’s-function approach to linear response in solids, 10.1103/physrevlett.58.1861
  13. Gonze Xavier, Allan Douglas C., Teter Michael P., Dielectric tensor, effective charges, and phonons in α-quartz by variational density-functional perturbation theory, 10.1103/physrevlett.68.3603
  14. Gonze Xavier, First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm, 10.1103/physrevb.55.10337
  15. Gonze Xavier, Lee Changyol, Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory, 10.1103/physrevb.55.10355
  16. Baroni Stefano, de Gironcoli Stefano, Dal Corso Andrea, Giannozzi Paolo, Phonons and related crystal properties from density-functional perturbation theory, 10.1103/revmodphys.73.515
  17. Gonze Xavier, Rignanese Gian-Marco, Caracas Razvan, First-principle studies of the lattice dynamics of crystals, and related properties, 10.1524/zkri.220.5.458.65077
  18. Aulbur Wilfried G., Jönsson Lars, Wilkins John W., Quasiparticle Calculations in Solids, Solid State Physics (2000) ISBN:9780126077544 p.1-218, 10.1016/s0081-1947(08)60248-9
  19. Blöchl P. E., Projector augmented-wave method, 10.1103/physrevb.50.17953
  20. Caracas Razvan, Gonze Xavier, First-principle study of materials involved in incommensurate transitions, 10.1524/zkri.220.5.511.65064
  21. Lee Changyol, Gonze Xavier, Ab initiocalculation of the thermodynamic properties and atomic temperature factors ofSiO2α-quartz and stishovite, 10.1103/physrevb.51.8610
Bibliographic reference Gonze, Xavier ; Rignanese, Gian-Marco ; Verstraete, Matthieu J. ; Beuken, Jean-Michel ; Pouillon, Y. ; et. al. A brief introduction to the ABINIT software package. In: Zeitschrift fuer Kristallographie, Vol. 220, no. 5-6, p. 558-562 (2005)
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