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
CasidaHermitianConjugate
CasidaHermitianConjugate
Section Linear Response::Casida
Type logical
Default false
The Casida matrix is Hermitian, so it should not matter whether we calculate the upper or
lower diagonal. Numerical issues may cause small differences however. Use this variable to
calculate the Hermitian conjugate of the usual matrix, for testing.
Source information
main/casida.F90 : 469
call parse_variable ( sys % namespace , 'CasidaHermitianConjugate' , . false ., cas % herm_conj )