# Developing Abinit **URL:** https://discourse.abinit.org/c/developing-abinit/9.md [Latest](https://discourse.abinit.org/latest.md) · [Categories](https://discourse.abinit.org/categories.md) · [Tags](https://discourse.abinit.org/tags.md) --- ## [Moderators : Robinson Outerovitch @routerov and Lucas Baguet @baguetl](https://discourse.abinit.org/t/moderators-robinson-outerovitch-routerov-and-lucas-baguet-baguetl/2927)
**Author:** [@gonze](https://discourse.abinit.org/u/gonze)\ **Replies:** 0\ **Last updated:** [July 10, 2021, 2:58pm UTC](https://discourse.abinit.org/t/moderators-robinson-outerovitch-routerov-and-lucas-baguet-baguetl/2927 "2021-07-10T14:58:52Z")
For information, the moderators of this category are Robinson Outerovitch @routerov and Lucas Baguet @baguetl . --- ## [About the Developing Abinit category](https://discourse.abinit.org/t/about-the-developing-abinit-category/15)
**Author:** [@system](https://discourse.abinit.org/u/system)\ **Replies:** 0
Users suggestions and questions related to Abinit development : code, documentation and Web site modifications. --- ## [Evaluating support for Intel GPUs through OpenMP/offload](https://discourse.abinit.org/t/evaluating-support-for-intel-gpus-through-openmp-offload/3747)
**Author:** [@harald.servat](https://discourse.abinit.org/u/harald.servat)\ **Replies:** 1\ **Last updated:** [July 8, 2025, 10:08am UTC](https://discourse.abinit.org/t/evaluating-support-for-intel-gpus-through-openmp-offload/3747 "2025-07-08T10:08:48Z")
Dear ABINIT developers, I’m interested on adding support to Intel GPUs through OpenMP/offload and I’d like to get some feedback/directions on how you believe it is the best way to start. I’ve been skim-reading the code … --- ## [Potential I/O Issues and Inconsistencies in abinit](https://discourse.abinit.org/t/potential-i-o-issues-and-inconsistencies-in-abinit/3711)
**Author:** [@Kongfer](https://discourse.abinit.org/u/Kongfer)\ **Replies:** 0\ **Last updated:** [May 16, 2025, 7:39am UTC](https://discourse.abinit.org/t/potential-i-o-issues-and-inconsistencies-in-abinit/3711 "2025-05-16T07:39:46Z")
Dear abinit community, Here are two small potential I/O issues that I encountered during my use of abinit. 1. incorrect Output for zcut in Eph for mobility In the eph mobility tutorial, when setting eph\_intemeth = 1 a… --- ## [Bug in .xyz file processing](https://discourse.abinit.org/t/bug-in-xyz-file-processing/3675)
**Author:** [@iangay](https://discourse.abinit.org/u/iangay)\ **Replies:** 3\ **Last updated:** [March 16, 2025, 10:35pm UTC](https://discourse.abinit.org/t/bug-in-xyz-file-processing/3675 "2025-03-16T22:35:46Z")
There is a bug in processing .xyz files with the xyzfile command. The symptoms are exhibited in the ground state forum, in the thread titled “Error message: Found token: YPAT in the input file” This seemed strange to m… --- ## [Is there any benchmark of GPU version of DFPT functionality?](https://discourse.abinit.org/t/is-there-any-benchmark-of-gpu-version-of-dfpt-functionality/3637)
**Author:** [@Kongfer](https://discourse.abinit.org/u/Kongfer)\ **Replies:** 2\ **Last updated:** [December 22, 2024, 11:52am UTC](https://discourse.abinit.org/t/is-there-any-benchmark-of-gpu-version-of-dfpt-functionality/3637 "2024-12-22T11:52:12Z")
Dear community, I am excited to hear that the DFPT can now be computed on GPUs. I am very interested in this and would like to try it out. I looked through the official documentation, but it didn’t seem to mention the … --- ## [Test of the new variables write\_files](https://discourse.abinit.org/t/test-of-the-new-variables-write-files/3531)
**Author:** [@ebousquet](https://discourse.abinit.org/u/ebousquet)\ **Replies:** 3\ **Last updated:** [October 6, 2024, 12:30pm UTC](https://discourse.abinit.org/t/test-of-the-new-variables-write-files/3531 "2024-10-06T12:30:44Z")
Dear all, During the last Abinit hackaton, Bogdan, Augustin, Aloïs and I have designed a new “meta” variable that will take care of the Abinit file writting. This variable is write\_files. Could everyone play with this… --- ## [EXTFPMD SCF Convergence Suggestion](https://discourse.abinit.org/t/extfpmd-scf-convergence-suggestion/3162)
**Author:** [@tdaworld](https://discourse.abinit.org/u/tdaworld)\ **Replies:** 3\ **Last updated:** [June 28, 2023, 9:47am UTC](https://discourse.abinit.org/t/extfpmd-scf-convergence-suggestion/3162 "2023-06-28T09:47:30Z")
Hello, I have been trying out the new EXTFPMD method in abinit v9.6.2. I have noticed that the convergence of the SCF cycle can be difficult for the potential residual when using the method. I would usually converge the… --- ## [Df2 nonlocal van der Waals](https://discourse.abinit.org/t/df2-nonlocal-van-der-waals/3106)
**Author:** [@recohen](https://discourse.abinit.org/u/recohen)\ **Replies:** 2\ **Last updated:** [April 20, 2022, 6:59pm UTC](https://discourse.abinit.org/t/df2-nonlocal-van-der-waals/3106 "2022-04-20T18:59:20Z")
I an wondering the status for the full implementation of DF2 nonlocal van der Waals. This has been outstanding for years. Lots of materials need this. Thanks! Ron --- ## [A question about the resource code](https://discourse.abinit.org/t/a-question-about-the-resource-code/3049)
**Author:** [@Yunfan](https://discourse.abinit.org/u/Yunfan)\ **Replies:** 1\ **Last updated:** [April 2, 2022, 2:51pm UTC](https://discourse.abinit.org/t/a-question-about-the-resource-code/3049 "2022-04-02T14:51:12Z")
Dear all I have read the resource code related wi the nonlinear optical response. However, I think it is different from the equations given by (https://doi.org/10.1103/PhysRevB.67.165332) and (https://doi.org/10.1238/Ph… --- ## [Question about the input variable exchmix](https://discourse.abinit.org/t/question-about-the-input-variable-exchmix/3087)
**Author:** [@orestmalyk](https://discourse.abinit.org/u/orestmalyk)\ **Replies:** 1\ **Last updated:** [February 18, 2022, 9:20am UTC](https://discourse.abinit.org/t/question-about-the-input-variable-exchmix/3087 "2022-02-18T09:20:34Z")
How to set the value of the “exchmix” parameter to less than zero in the Abinit code? If you set the value of the “exchmix” parameter to, for example, -0.01, ABINIT issues an error message: !WARNING src\_file: m\_parser… --- ## [Dowloading issue of core density files for the Bader atomic charge analysis](https://discourse.abinit.org/t/dowloading-issue-of-core-density-files-for-the-bader-atomic-charge-analysis/3047)
**Author:** [@az100](https://discourse.abinit.org/u/az100)\ **Replies:** 2\ **Last updated:** [December 7, 2021, 2:31am UTC](https://discourse.abinit.org/t/dowloading-issue-of-core-density-files-for-the-bader-atomic-charge-analysis/3047 "2021-12-07T02:31:41Z")
Hi All, I am trying to download the core density files from the website core\_electron | ABINIT, but failed. Clicking on a blue-highlighted element in the periodic table didn’t start the download. Could anyone help me ou… --- ## [Many repeat options in compiling ABINIT](https://discourse.abinit.org/t/many-repeat-options-in-compiling-abinit/2950)
**Author:** [@mcote](https://discourse.abinit.org/u/mcote)\ **Replies:** 1\ **Last updated:** [August 5, 2021, 7:16am UTC](https://discourse.abinit.org/t/many-repeat-options-in-compiling-abinit/2950 "2021-08-05T07:16:47Z")
Dear all, I am trying to fix a compilation problem on our cluster and I decided to look at the options used in the final step of making the abinit executable. I counted more than 250 options! When I placed them in alpha…