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PAO.EnergyShift 0.1 eV
DM.Tolerance 0.0001
DM.MixingWeight 0.2
Use.New.Diagk .true.
SystemLabel Gr
PAO.BasisSize sz
SolutionMethod diagon
MaxSCFIterations 120
SCF.MixAfterConvergence .false.
MeshCutoff 400 Ry
NumberOfSpecies 1
DM.UseSaveDM False
ElectronicTemperature 0.02 eV
%block ChemicalSpeciesLabel
1 6 C
%endblock ChemicalSpeciesLabel
%block kgrid_Monkhorst_Pack
30 0 0 0.0
0 30 0 0.0
0 0 1 0.0
%endblock Kgrid_Monkhorst_Pack
NumberOfAtoms 2
LatticeConstant 1.000000 Ang
AtomicCoordinatesFormat NotScaledCartesianAng
%block LatticeVectors
2.55000000000000 0.00000000000000 0.00000000000000
-1.27500000000000 2.20836477965032 0.00000000000000
0.00000000000000 0.00000000000000 30.00000000000000
%endblock LatticeVectors
AtomicCoordinatesFormat NotScaledCartesianAng
%block AtomicCoordinatesAndAtomicSpecies
0.00000000000000 0.00000000000000 0.00000000000000 1 12.011000
1.27500000000000 0.73612159321677 0.00000000000000 1 12.011000
%endblock AtomicCoordinatesAndAtomicSpecies
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