.. _input_examples:

Examples of input structures
============================

Consider several examples of input structures

Pure bcc iron in ferromagnetic state
------------------------------------


.. code-block:: ini

   [Control]
   job_name = bcc-Fe
   job_type = asa-sc
   spin_polarized = yes

   [Structure]
   name = bcc
   lmax = 3
   ws_radius = 2.7 au

   # bcc lattice vectors
   bravais =
     0.5   0.5  -0.5
     0.5  -0.5   0.5
    -0.5   0.5   0.5
   sites_frac =     # fractional coordinates
   #  x     y     z  symb  splitting
     0.0   0.0   0.0  Fe   mom = 2.0

   [Kpoints]
   mesh_size = 13 13 13

   [Atomic]

   [Contour]

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