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--
Casida
--- CasidaCalcForces
--- CasidaCalcForcesKernel
--- CasidaCalcForcesSCF
--- CasidaCalcTriplet
--- CasidaDistributedMatrix
--- CasidaHermitianConjugate
--- CasidaKohnShamStates
--- CasidaKSEnergyWindow
--- CasidaMomentumTransfer
--- CasidaParallelEigensolver
--- CasidaPrintExcitations
--- CasidaQuadratureOrder
--- CasidaTheoryLevel
--- CasidaTransitionDensities
--- CasidaWeightThreshold
--- CasidaWriteDistributedMatrix
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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 : 422
call parse_variable ( sys % namespace , 'CasidaQuadratureOrder' , 5 , cas % avg_order )