[CP2K-user] Typo error in the cp2k manual

Aditya Goyal goyal.... at gmail.com
Sat Jan 23 13:40:35 UTC 2021

Thank you so much for your help!


On Saturday, January 23, 2021 at 6:45:51 PM UTC+5:30 Ole Schütt wrote:

> 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
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