CalculationMode = casida
UnitsOutput = eV_angstrom

stdout = 'stdout_casida.txt'
stderr = 'stderr_casida.txt'

Radius = 5*angstrom
Spacing = 0.5*angstrom

CH = 1.097*angstrom
%Coordinates
 "C" |           0 |          0 |           0
 "H" |  CH/sqrt(3) | CH/sqrt(3) |  CH/sqrt(3)
 "H" | -CH/sqrt(3) |-CH/sqrt(3) |  CH/sqrt(3)
 "H" |  CH/sqrt(3) |-CH/sqrt(3) | -CH/sqrt(3)
 "H" | -CH/sqrt(3) | CH/sqrt(3) | -CH/sqrt(3)
%

CasidaKohnShamStates = '1-6'

CasidaTransitionDensities = "3-4"
OutputFormat = xcrysden
