[CP2K-user] [CP2K:20892] Units of Forces and Energies in ENERGY_FORCE

[Krack Matthias]

Hi Albert

To the best of my knowledge, that’s currently not possible.

Best

Matthias

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Albert Makhmudov <albrt.makhmudov at gmail.com>
Date: Sunday, 10 November 2024 at 09:46
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:20890] Units of Forces and Energies in ENERGY_FORCE

Dear CP2K community,



I’m curious if there’s a way to obtain the energy and forces in units other than a.u., such as eV and eV*angstrom^-1, respectively, while running ENERGY_FORCE calculations.

Your help would be very much appreciated!


Best,

Albert
--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com<mailto:cp2k+unsubscribe at googlegroups.com>.
To view this discussion visit https://groups.google.com/d/msgid/cp2k/3275555d-22c2-4042-b057-56643c55efd4n%40googlegroups.com<https://groups.google.com/d/msgid/cp2k/3275555d-22c2-4042-b057-56643c55efd4n%40googlegroups.com?utm_medium=email&utm_source=footer>.

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion visit https://groups.google.com/d/msgid/cp2k/ZRAP278MB0827C25B07FB00D32A9F376FF4582%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20241111/2ae47ccc/attachment-0001.htm>