SystemName   Diamond
SystemLabel  siesta

NumberOfAtoms        2
NumberOfSpecies      1
%block ChemicalSpeciesLabel
  1 6 C
%endblock ChemicalSpeciesLabel

LatticeConstant    3.567  Ang
%block LatticeVectors
    0.0    0.5    0.5
    0.5    0.0    0.5
    0.5    0.5    0.0
%endblock LatticeVectors

AtomicCoordinatesFormat  Fractional
%block AtomicCoordinatesAndAtomicSpecies
  0.00    0.00    0.00  1
  0.25    0.25    0.25  1
%endblock AtomicCoordinatesAndAtomicSpecies

PAO.BasisSize       DZP
PAO.BasisType       nodes
%block PAO.Basis
C          2
 n=2   0   2
   0.000      0.000
   1.000      1.000
 n=2   1   2 P
   0.000      0.000
   1.000      1.000
%endblock PAO.Basis

%block kgrid_Monkhorst_Pack
   4    0    0   0.0
   0    4    0   0.0
   0    0    4   0.0
%endblock kgrid_Monkhorst_Pack

SolutionMethod          diagon
OccupationFunction      MP
ElectronicTemperature   0.0000 eV
MaxSCFIterations        300
MeshCutoff              320.0 Ry
DM.Tolerance            1.E-6
SCF.H.Converge          F
UseSaveData             F
DM.UseSaveDM            F
SpinOrbit               F
Diag.ParallelOverK      T