[CP2K-user] [CP2K:11762] Lagrange Multipliers Units

[Patrick Gono]

Dear Alejandro,

the default units for the Lagrange multipliers are Hartree/Bohr. Please,
take a look at: https://www.cp2k.org/exercises:2017_uzh_acpc2:prot_fol

Yours sincerely,
Patrick Gono

On Mon, 20 May 2019 at 17:32, Alejandro Ramos <ar26... at gmail.com> wrote:

> Hello All,
>
> I'm performing a constrained simulation where I fix the distance between 2
> atoms. Now, what are the units used in the Lagrange multipliers output
> file? Should I expect Eh/a0 or Eh/A?
>
> Best regards,
>
> Alejandro.
>
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