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Option: properties


-properties <file>

-prop <file>


This option can be used to define explicitely some properties of the system.

The <file> is a text file that must contain keywords followed by appropriate values. Empty lines, and lines starting with the hash symbol (#), are ignored. If a property is specified several times, then the last one overwrites all previous ones.

Per-atom properties are defined for each atom, e.g. the atom displacements or velocities. If they are auxiliary properties (i.e. properties that do not modify atom positions like velocities, electric charges...), then they are written to some file formats, see this page. System-wide properties do not apply to each atom individually but to the system as a whole, like the supercell parameters or the elastic tensor. They may affect options called afterwards and/or output files.

Below is the list of valid per-atom properties, which apply to atoms:

And here is the list of supported system-wide properties:


By default none of these properties are defined.


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