
SystemName      benzene
SystemLabel     benzene
NumberOfSpecies 2
NumberOfAtoms   12

LatticeConstant 1.000000000 bohr

AtomicCoordinatesFormat bohr

%block LatticeVectors
      12.0   0.000000000   0.000000000
       0.000000000  8.0   0.000000000
       0.000000000   0.000000000  14.0
%endblock LatticeVectors

%block ChemicalSpeciesLabel
1 6 C
2 1 H
%endblock ChemicalSpeciesLabel

%block AtomicCoordinatesAndAtomicSpecies
   0.000000000   0.000000000   2.606191638  1
  -2.256951812   0.000000000   1.303295954  1
  -2.256951812   0.000000000  -1.303295954  1
   0.000000000   0.000000000  -2.606191638  1
   2.256951812   0.000000000  -1.303295954  1
   2.256951812   0.000000000   1.303295954  1
   0.000000000   0.000000000   4.661568689  2
  -4.036550461   0.000000000   2.331073825  2
  -4.036550461   0.000000000  -2.331073825  2
   0.000000000   0.000000000  -4.661568689  2
   4.036550461   0.000000000  -2.331073825  2
   4.036550461   0.000000000   2.331073825  2
%endblock AtomicCoordinatesAndAtomicSpecies

PAO.BasisSize DZP

SolutionMethod diagon

MD.TypeOfRun CG
MD.VariableCell F
MD.NumCGsteps 0

%block kgrid_Monkhorst_Pack
1 0 0 +0.0
0 1 0 +0.0
0 0 1 +0.0
%endblock kgrid_Monkhorst_Pack

WaveFuncKPointsScale ReciprocalLatticeVectors

%block WaveFuncKPoints
0.000  0.000  0.000
%endblock WaveFuncKPoints

WriteDenchar T

SaveRho T
SaveElectrostaticPotential T
SaveTotalPotential T

MeshCutoff 120.0 Ry

