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ABINIT

This resource has a 9.5 Ranking

Ranking is calculated from a formula comprised of user reviews and usage statistics. Learn more ›

Usage Stats
Overall Period: Updated 21 Nov, 2008
Users: 136
Jobs: 1125
Avg. exec. time: 5 mins
Reviews & Citations
Google/IEEE
Avg. Review: 5.0 out of 5 stars
Citations: 0

136 users, detailed statistics

1 review (Review this)

0 citations

1 question (Ask a question)

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Available Versions

Version 2.0.1 - published on 04 Aug, 2008
Contributor(s) Amritanshu Palaria, Xufeng Wang, Ben Haley, Matteo Mannino, Gerhard Klimeck
Purdue University, West Lafayette
At a glance Run the community code ABINIT for electronic structure calculations under density functional theory through a convenient graphical user interface
Description

About ABINIT: ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory, using pseudopotentials and a planewave basis. ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulation using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. In addition to the main ABINIT code, different utility programs are provided.

About ABINIT on nanoHUB:

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ABINIT code, a common project of the Université Catholique de Louvain, Corning Incorporated, the Université de Liège, the Commissariat à l\'Energie Atomique, Mitsubishi Chemical Corp. and the Ecole Polytechnique Palaiseau (URL http://www.abinit.org).

Credits

This work was partially funded by NSF\'s Network for Computational Nanotechnology.

References

[1] X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, D.C. Allan, \"First-principles computation of material properties : the ABINIT software project\", Computational Materials Science 25, 478-492 (2002).

[2] X. Gonze, G.-M. Rignanese, M. Verstraete, J.-M. Beuken, Y. Pouillon, R. Caracas, F. Jollet, M. Torrent, G. Zerah, M. Mikami, Ph. Ghosez, M. Veithen, J.-Y. Raty, V. Olevano, F. Bruneval, L. Reining, R. Godby, G. Onida, D.R. Hamann, and D.C. Allan, \"A brief introduction to the ABINIT software package\", Zeit. Kristallogr. 220, 558-562 (2005).

Cite this work

If you reference this work in a publication, please cite as follows:

    If you use the simulations from this tool for publication, please cite the following in your publication:
    A. Palaria, X. Wang, B. Haley, M Mannino, G. Klimeck, \"ABINIT on nanoHUB\".
    Also, in the body of the paper, or in the acknowledgments, mention \"The present results have been obtained through the use of the ABINIT code, a common project of the Université Catholique de Louvain, Corning Incorporated, and other contributors (URL http://www.abinit.org)\"

  • Palaria, Amritanshu; Wang, Xufeng; Haley, Ben; Mannino, Matteo; Klimeck, Gerhard (2008), "ABINIT," doi: 10254/nanohub-r202.2.

    BibTex | EndNote

In addition, we would appreciate it if you would add the following acknowledgment to your publication:

  • Simulation services for results presented here were provided by the Network for Computational Nanotechnology (NCN) at nanoHUB.org
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  1. 5.0 out of 5 stars 

    Posted on 06 December, 2005 by cristiano krug

    0   0   Login to vote Rating based on results published by other authors.

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