Matthias Krack matthia... at
Sun May 25 09:15:23 UTC 2014


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

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.


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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