ABINIT is a software suite to calculate the optical, mechanical, vibrational, and other observable properties of materials. Starting from the quantum equations of density functional theory, you can build up to advanced applications with perturbation theories based on DFT, and many-body Green's functions (GW and DMFT)

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  1. Error in ABINIT program

    Q&A|Closed | Responses: 3

    I tried to input ethanol into the simulation using a PDB file, however
    the simulation failed. I attached the error message below in the hopes
    that you might be able to know what to...


  2. why an error of “more than 132 columns are used”? I have checked, it is less than 132

    Q&A|Closed | Responses: 0


  3. “All sites listed as possible execution hosts are out of service.”

    Q&A|Closed | Responses: 3

    I am trying to run ABINIT, but when I go to simulate the program I get an error saying that "All sites listed as possible execution hosts are out of service". I have also tried to run...


  4. Rodrigo Castillo


  5. Resources for Materials Science and Engineering

    Ab initio electronic structure simulation tools ABINIT :ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made...


  6. khaan code

    I am phd student. I am from Mongolia. I want to work on abinit well. I am learning abinit.


  7. Nicolas Torres


  8. Is there an ABINIT tutorial for ferromagnetic materials?

    Q&A|Closed | Responses: 2

    Suppose that we have a lattice of which we want to examine ferromagnetic properties. Can abinit help? If so, how?


  9. I can’t get ABINIT to start on nanoHub, and can’t get the Users Guide to work either.

    Q&A|Closed | Responses: 1


  10. sergey yu shishkov

    Moscow FIZ-TECH Institute 1980-1986 (MIPT ), then Kurchatov Institute of Atomic Energy, Moscow


  11. D Ray Johnson

    Retired from ORNL Materials Science and Technology Division after 37 years.


  12. Error running abinit test file

    Q&A|Closed | Responses: 0

    Hello, I was running an abinit test file t46.in at the nanohub, but it has problem launching. It is a test file for generating STM charge density images for aluminium. The input is as...


  13. Get problem lauching job: can’t use non-numeric string as an operand of “-”

    Q&A|Closed | Responses: 0

    Hello, I upload a input file in abint, nanohub.org/tools/abinit/session/353309. When I run this...


  14. Could I use the abinit package on nanohub to simulate doped CNTs?

    Q&A|Closed | Responses: 0

    Hello, I am a researcher interested in performing research in computational nanotechnology and I am a new user of the nanohub website. My interest is in doped Carbon nanotube and in studying...


  15. Is there a gui for the output of abinit for plotting DOS and BANDS?

    Q&A|Closed | Responses: 0


  16. the simulation in abinit is showing errors..

    Q&A|Closed | Responses: 1

    on giving the inputs to abinit, the job runs but it gives an output showing:

    problem launching job

    can’t use non-numeric string as an operand of “-” while...


  17. ABINIT: First-Time User Guide

    09 Jun 2009 | | Contributor(s):: Benjamin P Haley

    This first-time user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We discuss the default simulation (what happens if you don't change any inputs, and just hit...

  18. abinit problem for large atoms

    Q&A|Open | Responses: 1

    while working in abinit with copper molecules I face an error like “SIZE OF YOUR INPUT FILE IS SUCH THAT INTERNAL CHARACTER STRING THAT SHOULD CONTAIN IT IS TOO SMALL” Does anyone...


  19. abinit problem

    Q&A|Open | Responses: 1

    How to resolve getting an error “line 16 has more than 132 columns”?


  20. ABINIT

    13 May 2004 | | Contributor(s):: Amritanshu Palaria, Xufeng Wang, Benjamin P Haley, Matteo Mannino, Gerhard Klimeck

    Run the community code ABINIT for electronic structure calculations under density functional theory through a convenient graphical user interface