
CalculationMode = gs
TheoryLevel = independent_particles

Dimensions = 3
Radius = 8
Spacing = 0.15

# distance between H atoms
d = 1.4172 # (equilibrium bond length H2)

%Coordinates
 'H' | 0 | 0 | -d/2
 'H' | 0 | 0 | d/2
%

Eigensolver = Chebyshev_filter

ExtraStates = 14
