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          CG
MD.Steps              100
MD.VariableCell       T
MD.MaxForceTol        0.1 eV/Ang
MD.MaxStressTol       0.1 GPa
MD.TargetPressure     0.0 GPa

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