CP2K version 2026.1 released

[Ole Schütt]

Dear CP2K users,

we wish you a Happy New Year!

We are pleased to announce the release of the CP2K version 2026.1.

The CP2K source tarball can be downloaded from:

https://github.com/cp2k/cp2k/releases/tag/v2026.1

A container image will soon be available on Docker Hub:

https://hub.docker.com/r/cp2k/cp2k/tags

Further information about Git access and Linux distros can be found at:

https://www.cp2k.org/download

The corresponding manual can be browsed at:

https://manual.cp2k.org/cp2k-2026_1-branch/index.html

We invite you to report any issue here on this list. In case of a confirmed bug please file it at:

https://github.com/cp2k/cp2k/issues

The CP2K web page is extended and improved continuously. It includes many tutorials (e.g. how-to compile CP2K) and an FAQ page:

https://www.cp2k.org/howto
https://www.cp2k.org/faq

Developers and users interested in contributing to CP2K may find further information at:

https://www.cp2k.org/dev

We hope that you will enjoy this new release!

The CP2K developers team

[Victor Volkov]

Dear Ole:

Happy New Year!

Does  CP2K version 2026.1 include the proposed (by Dmitry) 

xTB NEGF 

update.

Thank you.

Best.

Victor 

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[Dmitry Ryndyk]

Hi Viktor,

xTB NEGF is not ready yet. I hope to do this in a couple of months.

Best wishes,

Dima

[André Marques]

Como faz a compilação dessa nova versão em um i7-13 ...16GB ram...RTX 4050?

[Frederick Stein]

Dear André,

If possible, please use English as not everybody speaks Portuguese although the question may be inferred rather easily in your case. Please consult the manual for further information on the new compilation process with CMake. Please be aware that CP2K not necessarily benefits from consumer GPU cards due to their poor performance with respect to double precision floating point operations. Please open a new thread if you have specific problems with the compilation process.

Best,

Frederick