CalculationMode = gs
UnitsOutput = ev_angstrom
ExperimentalFeatures = yes

stdout = "gs_stdout.txt"
stderr = "gs_stderr.txt"

PeriodicDimensions = 2

Spacing = 0.40*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 = cg
