CalculationMode = gs
FromScratch = yes

BoxShape = parallelepiped
Lsize = 7

%Coordinates
 'O'  |  0.000000  | -0.553586  |  0.000000
 'H'  |  1.429937  |  0.553586  |  0.000000
 'H'  | -1.429937  |  0.553586  |  0.000000
%

Spacing = 0.5

Eigensolver = chebyshev_filter
ExtraStates = 4
