SystemName          bulk Fe, bcc, GGA, spin polarized
#                   Lattice Constant, Lattice Vectors and Atomic Coordinates
#                   taken to be compatible with the example08 of Wannier90 suite

SystemLabel         Fe
NumberOfAtoms       1
NumberOfSpecies     1
ElectronicTemperature  0.02 Ry

%block ChemicalSpeciesLabel
1  26 Fe
%endblock ChemicalSpeciesLabel

LatticeConstant        5.4235 Bohr
%block LatticeVectors
  0.5  0.5  0.5
 -0.5  0.5  0.5
 -0.5 -0.5  0.5
%endblock LatticeVectors
AtomicCoordinatesFormat    ScaledBylatticeVectors
%block AtomicCoordinatesAndAtomicSpecies
  0.0  0.0  0.0   1
%endblock AtomicCoordinatesAndAtomicSpecies
%block kgrid_Monkhorst_Pack
 20  0  0  0.5
  0 20  0  0.5
  0  0 20  0.5
%endblock kgrid_Monkhorst_Pack
MeshCutoff             400 Ry
DM.NumberPulay         3
DM.MixingWeight        0.10
DM.Tolerance           1.d-5
DM.UseSaveDM           .true.
XC.functional          GGA
XC.authors             PBE
#SpinPolarized          .true.

BandLinesScale ReciprocalLatticeVectors
%block BandLines
1   0.000  0.000  0.000 \Gamma  # Begin at Gamma
20  0.500  0.500 -0.500 H       # 20 points from Gamma to H
20  0.750  0.250 -0.250 P       # 20 points from H to P
20  0.500  0.000 -0.500 N       # 20 points from P to N
20  0.000  0.000  0.000 \Gamma  # 20 points from N to Gamma
20  0.500  0.500  0.500 H       # 20 points from Gamma to H
20  0.500  0.000  0.000 N       # 20 points from H to N
20  0.000  0.000  0.000 \Gamma  # 20 points from N to Gamma
20  0.750  0.250 -0.250 P       # 20 points from Gamma to P
20  0.500  0.000  0.000 N       # 20 points from P to N
%endblock BandLines

%block PAO.Basis
Fe   3     -0.04397
n=4   0   2   E   122.86621     6.45279
  6.95588     5.59065
  1.00000     1.00000
n=4   1   1   E    95.68748     2.90853
  6.79760
  1.00000
n=3   2   2   E   122.39430     3.66430
  5.90944     2.96113
  1.00000     1.00000
%endblock PAO.Basis

Siesta2Wannier90.WriteMmn       .true.
Siesta2Wannier90.WriteAmn       .true.
Siesta2Wannier90.WriteEig       .true.
Siesta2Wannier90.WriteUnk       .false.
Siesta2Wannier90.NumberOfBands  14