SystemName          Si - 8 atoms supercell
SystemLabel         si8

NumberOfAtoms       8
NumberOfSpecies     1

%block ChemicalSpeciesLabel
 1  14  Si
%endblock ChemicalSpeciesLabel

PAO.BasisSize       SZ
PAO.EnergyShift     300 meV

LatticeConstant     5.535 Ang

%block LatticeVectors
  1.000  0.000  0.000
  0.000  1.000  0.000
  0.000  0.000  1.000
%endblock LatticeVectors

MeshCutoff          30.0 Ry

%block kgrid_Monkhorst_Pack
   2  0  0  0.0 
   0  2  0  0.0 
   0  0  2  0.0 
%endblock kgrid_Monkhorst_Pack 

MaxSCFIterations    50  
DM.MixingWeight     0.3 
DM.NumberPulay      3  
DM.Tolerance        1.d-4
DM.UseSaveDM             

SolutionMethod         diagon    
ElectronicTemperature  25 meV  

MD.TypeOfRun            Nose
MD.InitialTimeStep      1
MD.FinalTimeStep        200
MD.LengthTimeStep       3.0 fs
MD.InitialTemperature   300.0 K
MD.TargetTemperature    300.0 K
MD.NoseMass             100.0 Ry*fs**2

WriteMDHistory T

AtomicCoordinatesFormat  ScaledbyLatticeVectors

%block AtomicCoordinatesAndAtomicSpecies
    0.000    0.000    0.000   1 #  Si  1
    0.250    0.250    0.250   1 #  Si  2
    0.000    0.500    0.500   1 #  Si  3
    0.250    0.750    0.750   1 #  Si  4
    0.500    0.000    0.500   1 #  Si  5 
    0.750    0.250    0.750   1 #  Si  6 
    0.500    0.500    0.000   1 #  Si  7 
    0.750    0.750    0.250   1 #  Si  8 
%endblock AtomicCoordinatesAndAtomicSpecies