Root finding in species_get_density did not converge.
The following input produces an error when getting the atomic density. Similar failures can happen for other values of the shift "s".
CalculationMode = gs
FromScratch = yes
AllElectronType = full_gaussian
CH = 1.097*angstrom
s = 0.12
%Coordinates
"C" | 0 | 0 | 0 + s
"H" | CH/sqrt(3) | CH/sqrt(3) | CH/sqrt(3) + s
"H" | -CH/sqrt(3) |-CH/sqrt(3) | CH/sqrt(3) + s
"H" | CH/sqrt(3) |-CH/sqrt(3) | -CH/sqrt(3) + s
"H" | -CH/sqrt(3) | CH/sqrt(3) | -CH/sqrt(3) + s
%
Spacing = 0.5
Radius = 12
BoxShape = sphere
ConvRelDens = 1e-9
Eigensolver = chebyshev_filter
ExtraStates = 4