[CP2K-user] [CP2K:20278] Re: Unit Cell Integral Current Vector.

[Luca]

Dear all,

I have successfully calculated the integrated current. My findings indicate 
that, after a kick, the integrated current during propagation does not 
oscillate around zero when using the velocity gauge formalism.
Could you please confirm that CP2K cannot correctly calculate currents in 
the velocity gauge formalism?

Best regards,
Luca

Il giorno domenica 2 giugno 2024 alle 19:19:37 UTC+2 Luca ha scritto:

> Dear CP2K developers
>
> I am writing to ask for your help in modifying the rt_current subroutine 
> to print the integral value of the current (Jx, Jy, Jz) in the output file.
> Could you please advise me on which code lines I need to add to achieve 
> this modification?
>
> Best regards,
> Luca
>
>

-- 
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 on the web visit https://groups.google.com/d/msgid/cp2k/c258d17f-285d-4f0b-8b1c-ea793e5b19d0n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240606/f4e8b236/attachment.htm>