Manual:External utilities:oct-excite
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Calculates the excitation spectrum within linear response. This utility can output just the difference of eigenvalues by setting LinEigenvalues, the excitations using M. Petersilka formula (LinPetersilka), or M. Casida (LinCasida). This utility requires that a calculation of unoccupied states (CalculationMode = unocc) has been done before, and it outputs the results to the sub-directory "linear". The states entering the calculation can be chosen with the variable ExciteStates
In later versions oct-excite no longer exists because the linear-response formalism calculations are now done by the main code, by making use of the "casida" run mode. See Manual:Calculation Modes:Casida
