# COORD

The coordinates for simple systems (like small QM cells) are specified here by default using explicit XYZ coordinates. Simple products and fractions combined with functions of a single number can be used like 2/3, 0.3*COS(60) or -SQRT(3)/2. More complex systems should be given via an external coordinate file in the SUBSYS%TOPOLOGY section. [Edit on GitHub]

## Keywords

- DEFAULT_KEYWORD

- SCALED

- UNIT

## Keyword descriptions

DEFAULT_KEYWORD: string

  Keyword can be repeated.

  Usage: {{String} {Real} {Real} {Real} {String}}

  The atomic coordinates in the format:

  `ATOMIC_KIND X Y Z MOLNAME`

  The `MOLNAME` is optional. If not provided the molecule name is internally created. All other fields after `MOLNAME` are simply ignored. [Edit on GitHub]

SCALED: logical = F

  Lone keyword: `T`

  Usage: SCALED F

  Specify if the coordinates in input are scaled. When true, the coordinates are given in multiples of the lattice vectors. [Edit on GitHub]

UNIT: string = angstrom

  Usage: UNIT angstrom

  Specify the unit of measurement for the coordinates in inputAll available CP2K units can be used. [Edit on GitHub]