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
  1.150  0.200  0.000
  0.000  1.050  0.000
 -0.100  0.000  0.900
%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-3
DM.UseSaveDM

SolutionMethod         diagon
ElectronicTemperature  25 meV

MD.TypeOfRun             ParrinelloRahman
MD.InitialTimeStep       1
MD.FinalTimeStep         200
MD.LengthTimeStep        3.0 fs
MD.ParrinelloRahmanMass  10.0 Ry*fs**2
MD.TargetPressure        0.0 GPa
MD.Quench                T

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