CalculationMode = gs
UnitsOutput = ev_angstrom
ExperimentalFeatures = yes

PeriodicDimensions = 2

Spacing = 0.20*angstrom

BNlength = 1.445*angstrom
a = sqrt(3)*BNlength
L = 40
%LatticeParameters
 a | a | L
 %

%LatticeVectors
  1.0 | 0.0       | 0.0
 -1/2 | sqrt(3)/2 | 0.0
  0.0 | 0.0       | 1.0
   %

%ReducedCoordinates
 'B' | 0.0 | 0.0 | 0.0
 'N' | 1/3 | 2/3 | 0.0
%

PseudopotentialSet = hgh_lda

LCAOStart = lcao_states

%KPointsGrid
 12 | 12 | 1
%
KPointsUseSymmetries = yes

Eigensolver = chebyshev_filter
ExtraStates = 2
