Tags: ABINIT

Description

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)

Questions & Answers (1-12 of 12)

  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...

    https://nanohub.org/answers/question/2265

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

    Q&A|Closed | Responses: 0

    https://nanohub.org/answers/question/1726

  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...

    https://nanohub.org/answers/question/1689

  4. 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?

    https://nanohub.org/answers/question/1015

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

    Q&A|Closed | Responses: 1

    https://nanohub.org/answers/question/982

  6. 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...

    https://nanohub.org/answers/question/763

  7. 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...

    https://nanohub.org/answers/question/695

  8. 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...

    https://nanohub.org/answers/question/431

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

    Q&A|Closed | Responses: 0

    https://nanohub.org/answers/question/395

  10. 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...

    https://nanohub.org/answers/question/337

  11. 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...

    https://nanohub.org/answers/question/231

  12. abinit problem

    Q&A|Open | Responses: 1

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

    https://nanohub.org/answers/question/216