# Problem opening Quantum Espresso Output **URL:** \ **Category:** Support\ **Created:** [February 17, 2025, 2:47am UTC](https://discuss.avogadro.cc/t/problem-opening-quantum-espresso-output/6772 "2025-02-17T02:47:47Z")\ **Posts on this page:** 11\ **Page:** 1
**Author:** ![Peace](https://discuss.avogadro.cc/letter_avatar_proxy/v4/letter/p/c68b51/32.png) [@Peace](https://discuss.avogadro.cc/u/Peace)\ **Post date:** [February 17, 2025, 2:47am UTC](https://discuss.avogadro.cc/t/problem-opening-quantum-espresso-output/6772/1 "2025-02-17T02:47:47Z")
I have an output file from quantum espresso and I would like to open it using Avogadro version (1.100.0). I’ve installed this version but the problem is that whenever I’m trying the output file which I’ve got from quantum espresso, I’m getting this message (below). Knowing that it opened in the oldest version. The extension of the file is .out which is one of the supported ones by Avogadro. Can you please help me fix this to be able to open the file. Also, what should I do if I want to open an input file for example which is also used for quantum espresso? Thank you very much! ![image](https://discuss.avogadro.cc/uploads/default/original/2X/6/6747d1e5b29b39ea821ed30dddd0255066f5c9f9.jpeg) ---
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [February 17, 2025, 4:13am UTC](https://discuss.avogadro.cc/t/problem-opening-quantum-espresso-output/6772/2 "2025-02-17T04:13:24Z")
There’s a known bug in the Windows release of 1.100 - it does not seem to include any of the Open Babel files (including Quantum Espresso support). I’d suggest trying a nightly build [Install — Avogadro 1.100.0 documentation](https://two.avogadro.cc/install/) ---
**Author:** ![matterhorn103](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/matterhorn103/32/1751_2.png) [@matterhorn103](https://discuss.avogadro.cc/u/matterhorn103)\ **Post date:** [February 17, 2025, 5:46am UTC](https://discuss.avogadro.cc/t/problem-opening-quantum-espresso-output/6772/3 "2025-02-17T05:46:17Z")
Also just wanted to point out that `.out` is a generic file extension that could represent output from many different quantum chemistry programs, so though the file picker lists it as a “supported” file format, it doesn’t necessarily mean that Avogadro supports the output format of a given specific program. It sounds like Avogadro does indeed support Quantum Espresso, but not every program that produces a `.out` file is supported. ---
**Author:** ![Peace](https://discuss.avogadro.cc/letter_avatar_proxy/v4/letter/p/c68b51/32.png) [@Peace](https://discuss.avogadro.cc/u/Peace)\ **Post date:** [February 17, 2025, 5:33pm UTC](https://discuss.avogadro.cc/t/problem-opening-quantum-espresso-output/6772/4 "2025-02-17T17:33:52Z")
Thank you very much! I’ll try the nightly build. The point is that my friend have tried the same version on his laptop using the same .out file from quantum espresso and it opened with him. That’s why I’m wondering also. I was having another question please in my previous comment: how can I open an input file which is written for quantum espresso using Avogadro 1.100 or the nightly build? usually the extension is .in but I didn’t see that Avogadro support .in so what should I do? Thank you very much ---
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [February 17, 2025, 6:40pm UTC](https://discuss.avogadro.cc/t/problem-opening-quantum-espresso-output/6772/6 "2025-02-17T18:40:58Z")
> [@Peace](#): > > how can I open an input file which is written for quantum espresso In general, we don’t support reading input files. If someone wants to write a parser, great. But I’ve seen far too much variation to be able to parse even specific formats (e.g., Quantum Espresso here) much less a generic input file parser. You can certainly copy / paste coordinates, etc into the Cartesian editor in a variety of formats. ---
**Author:** ![Peace](https://discuss.avogadro.cc/letter_avatar_proxy/v4/letter/p/c68b51/32.png) [@Peace](https://discuss.avogadro.cc/u/Peace)\ **Post date:** [February 17, 2025, 7:02pm UTC](https://discuss.avogadro.cc/t/problem-opening-quantum-espresso-output/6772/7 "2025-02-17T19:02:53Z")
Thank you! So if I only copy and paste the coordinates and the lattice parameters from my script to avogadro, will that gives me the corresponding accurate and the correct structure? So Avogadro doesn’t need any other information than the atomic positions and the lattice parameters to accurately and correctly represent the corresponding structure. Is that true? Many thanks! ---
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [February 17, 2025, 7:10pm UTC](https://discuss.avogadro.cc/t/problem-opening-quantum-espresso-output/6772/8 "2025-02-17T19:10:04Z")
> [@Peace](#): > > Avogadro doesn’t need any other information than the atomic positions and the lattice parameters to accurately and correctly represent the corresponding structure. Is that true? Sure. What else would you need? ---
**Author:** ![Peace](https://discuss.avogadro.cc/letter_avatar_proxy/v4/letter/p/c68b51/32.png) [@Peace](https://discuss.avogadro.cc/u/Peace)\ **Post date:** [February 18, 2025, 12:57am UTC](https://discuss.avogadro.cc/t/problem-opening-quantum-espresso-output/6772/9 "2025-02-18T00:57:06Z")
Thank you. I’m just wondering: how the same .out file which I’ve mentioned in my first question, opened successfully using Avogadro 1.100.0 but when it’s installed on my friend laptop! Any idea? Thanks ---
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [February 18, 2025, 2:48am UTC](https://discuss.avogadro.cc/t/problem-opening-quantum-espresso-output/6772/10 "2025-02-18T02:48:22Z")
Are you both using Windows? As I mentioned, there’s a Windows-specific bug in 1.100 that does not include Open Babel support. Otherwise, I think we’d need you to post a link to the file for testing. ---
**Author:** ![Peace](https://discuss.avogadro.cc/letter_avatar_proxy/v4/letter/p/c68b51/32.png) [@Peace](https://discuss.avogadro.cc/u/Peace)\ **Post date:** [February 18, 2025, 3:13pm UTC](https://discuss.avogadro.cc/t/problem-opening-quantum-espresso-output/6772/11 "2025-02-18T15:13:17Z")
Yes we both using Windows. I’ve used the upload option to upload the file. Thank you. [relax1-O.out](https://discuss.avogadro.cc/uploads/short-url/86wxpwGIkRfcPJvy10l5BHpQcbI.out) (2.0 MB) ---
**Author:** ![matterhorn103](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/matterhorn103/32/1751_2.png) [@matterhorn103](https://discuss.avogadro.cc/u/matterhorn103)\ **Post date:** [June 19, 2025, 8:00pm UTC](https://discuss.avogadro.cc/t/problem-opening-quantum-espresso-output/6772/12 "2025-06-19T20:00:43Z")
There is a corresponding issue on GitHub at [Problem · Issue #1970 · OpenChemistry/avogadrolibs · GitHub](https://github.com/OpenChemistry/avogadrolibs/issues/1970)