coord

[Matthias Krack]

Yes.

E.g. given

&CELL
 ABC 10.0 10.0 10.0
 ...
&END CELL

&COORD
 SCALED
 0.33 0.66 0.0
 ...
&END COORD

is equivalent to

&COORD
 3.3 6.6 0.0
 ...
&END COORD

Fractions should also work in case you want exactly 1/3 or 2/3

&COORD
 SCALED
 1/3 2/3 0
 ...
&END COORD

Matthias

Am Sonntag, 25. Mai 2014 11:27:48 UTC+2 schrieb celio angel:
>
> thank you.
> this means that if an atom that occupies 0.33 * A must just write 0.33
>   
>
> Le dimanche 25 mai 2014 11:03:07 UTC+2, celio angel a écrit :
>>
>>  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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