CalculationMode = gs

PeriodicDimensions = 3

Spacing = 0.5

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

a = 10.18
%LatticeParameters
 a | a | a
%

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

nk = 2
%KPointsGrid
 nk  | nk  | nk
 0.5 | 0.5 | 0.5
 0.5 | 0.0 | 0.0
 0.0 | 0.5 | 0.0
 0.0 | 0.0 | 0.5
%
KPointsUseSymmetries = yes
%SymmetryBreakDir
 1 | 0 | 0
%

Eigensolver = chebyshev_filter
ExtraStates = 4
