CalculationMode = gs
RestartWrite = no

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

Dimensions = 3

BoxShape = sphere
Spacing = $deltax*angstrom
Radius = 4*angstrom

fraction = 0.0
delta = Spacing * fraction

%Coordinates
  "C" | delta | delta | delta
%

ExtraStates = 2
%Occupations
  2/3 | 2/3 | 2/3
%

PreconditionerFilterFactor = 0.75

%Output
  density | netcdf
%
UnitsOutput = ev_angstrom
