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
-
MaxwellStates
-
Mesh
-
Output
-
SCF
-
States
-
System
-
Time-Dependent
-
Utilities
-
Alphabetic Index
Tutorials
Developers
Releases
CasidaQuadratureOrder
CasidaQuadratureOrder
Section Linear Response::Casida
Type integer
Default 5
Only applies if CasidaMomentumTransfer is nonzero.
Directionally averaged dynamic structure factor is calculated by
averaging over the results from a set of $\vec{q}$-vectors. The vectors
are generated using Gauss-Legendre quadrature scheme [see e.g.
K. Atkinson, J. Austral. Math. Soc. 23 , 332 (1982)], and this
variable determines the order of the scheme.
Source information
main/casida.F90 : 424
call parse_variable ( sys % namespace , 'CasidaQuadratureOrder' , 5 , cas % avg_order )