Sets the convergence calculations to 10 – N on the energy and 10 -( N-2) on the wavefunction. The default is NAC during frequency calculations where the extra cost is negligible. The default is NoNAC when computing energies or energies+gradients because the extra cost is non-trivial. NoNonAdiabaticCoupling and NoNAC suppress this behavior. Requests that the ground-to-excited-state non-adiabatic coupling be computed. Zero frequency is always done and need not be in the list. A list of frequencies at which to do the sums is read in. By default, all excited states are solved for. SOSĭo sum-over states polarizabilities, etc. The HFIVOGuess option forces the use of Hartree-Fock IVOs for the guess, even for TD-DFT. NoIVOGuess forces the use of canonical single excitations for guess, and it is the default for TD-DFT. NonEqSolv is the default except for excited state optimizations and when the excited state density is requested (e.g., with Density=Current or All). Whether to perform equilibrium or non-equilibrium PCM solvation. A failed job may be restarted from its checkpoint file by simply repeating the route section of the original job, adding the Restart option to the keyword/option. This option restarts a TD calculation after the last completed iteration. Note that, unlike for SCF, an initial guess for one basis set cannot be used for a different one.
Reads initial guesses for the states off the checkpoint file. Read converged states off the checkpoint file and solve for an additional N states. This features is typically used in EET calculations. In this case, the number of states to compute is read from the input stream. The keyword Read may also be specified as the parameter to the NStates option. If 50-50 is requested, NStates gives the number of each type of state for which to solve (i.e., the default is 3 singlets and 3 triplets). The default is the first excited state ( N=1). Solve for half triplet and half singlet states. Only effective for closed-shell systems, for which it is the default.
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