Navigation :
Manual
Input Variables
-
Atomic Orbitals
-
Calculation Modes
-
ClassicalParticles
-
DFTBPlusInterface
-
Execution
-
Hamiltonian
-
Linear Response
--
Casida
--- CasidaCalcForces
--- CasidaCalcForcesKernel
--- CasidaCalcForcesSCF
--- CasidaCalcTriplet
--- CasidaDistributedMatrix
--- CasidaHermitianConjugate
--- CasidaKohnShamStates
--- CasidaKSEnergyWindow
--- CasidaMomentumTransfer
--- CasidaParallelEigensolver
--- CasidaPrintExcitations
--- CasidaQuadratureOrder
--- CasidaTheoryLevel
--- CasidaTransitionDensities
--- CasidaWeightThreshold
--- CasidaWriteDistributedMatrix
--- PhotonmodesFilename
--
KdotP
--
Polarizabilities
--
SCF in LR calculations
--
Solver
--
Static Polarization
--
Sternheimer
--
Vibrational Modes
-- MagneticGaugeCorrection
-- ResponseMethod
-
Math
-
Maxwell
-
Mesh
-
Output
-
SCF
-
States
-
System
-
Time-Dependent
-
Utilities
-
Alphabetic Index
Tutorials
Developers
Releases
CasidaCalcTriplet
CasidaCalcTriplet
Section Linear Response::Casida
Type logical
Default false
For a non-spin-polarized ground state, singlet or triplet excitations can be calculated
using different matrix elements. Default is to calculate singlets. This variable has no
effect for a spin-polarized calculation.
Source information
main/casida.F90 : 451
call parse_variable ( sys % namespace , 'CasidaCalcTriplet' , . false ., cas % triplet )