Examples of input structures

Consider several examples of input structures

Pure bcc iron in ferromagnetic state

[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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