coord

[Matthias Krack]

Hi,

you may specify the atomic coordinates as so-called scaled coordinates by 
using the keyword SCALED in the &COORD section:

http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/COORD.html#desc_SCALED

e.g. the scaled coordinate (0.5,0.5,0.5) will then refer to the centre of 
the simulation box defined by the cell vectors given for instance by ABC.

Matthias

Am Sonntag, 25. Mai 2014 11:03:07 UTC+2 schrieb celio angel:
>
>  Dear all user CP2K.I want the input the coordinates of the system  
> depending of ABC and I do not know how.
> I do not know how to multiply the fraction and ABC settings .  
>     thank you 
>
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