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There are many ways to give SIESTA structural information.
- Directly from the fdf file in traditional format.
- Directly from the fdf file in the newer Z-Matrix format, using
a Zmatrix block.
- From an external data file
- From a FIFO file, when working in ``server'' mode.
Note that, regardless of the way in which the structure is described,
the tags
NumberOfSpecies,
NumberOfAtoms,
and ChemicalSpeciesLabel
are mandatory.
In the following sections we document the different structure input
methods, and provide a guide to their precedence.
Subsections
2011-11-16