[CP2K-user] Typo error in the cp2k manual

[Ole Schütt]

Hi Aditya,

the default value is -1*HUGE(), which essentially means that the 
optimization will never stop because of E_TARGET. This keyword is only 
useful when you (roughly) know the minimum energy of your system.

Note that the global optimization algorithms in CP2K are a bit dated. You 
might want to have a look at ASE instead: 
https://wiki.fysik.dtu.dk/ase/tutorials/tutorials.html#global-optimization

Cheers,
Ole

On Saturday, January 23, 2021 at 2:02:32 PM UTC+1 goy... at gmail.com 
wrote:

> Dear Cp2k users,
> There must be some typo error in the default value of E_TARGET in the 
> global optimization section. Can anybody clarify the default value cp2k is 
> using.
> https://manual.cp2k.org/trunk/CP2K_INPUT/SWARM/GLOBAL_OPT.html
> [image: Screenshot from 2021-01-23 18-22-12.png]
>
> Regards
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210123/37566812/attachment.htm>