CalculationMode = unocc

PeriodicDimensions = 3

Spacing = 0.5

a = 10.18
%LatticeParameters
 a | a | a
%

%LatticeVectors
 0.0 | 0.5 | 0.5
 0.5 | 0.0 | 0.5
 0.5 | 0.5 | 0.0
%

%ReducedCoordinates
 "Si" | 0.0 | 0.0 | 0.0
 "Si" | 1/4 | 1/4 | 1/4
%

Eigensolver = chebyshev_filter

ExtraStates = 10
ExtraStatesToConverge = 5

%KPointsPath
  10 |  10 |  15
 0.5 | 0.0 | 0.0  # L point
 0.0 | 0.0 | 0.0  # Gamma point
 0.0 | 0.5 | 0.5  # X point
 1.0 | 1.0 | 1.0  # Another Gamma point
%
KPointsUseSymmetries = no
