Lebedev grids of orders n=6m+5 where m=0,1,...,21 in 16 digit precision ======================================================================= The file Lebedev-Laikov.F implements a set of subroutines providing Lebedev-Laikov grids of order n=2m+1, where m=1,2,...,15, and additionally grids of order n=6m+5, where m=5,6,...,21. The parameters ensure that angular integration of polynomials x**k * y**l * z**m, where k+l+m <= 131 can be performed with a relative accuracy of 2e-14 [1]. Note that the weights are normalised to add up to 1.0. For each order n a separate subroutine is provided named LD. The parameters X, Y, Z are arrays for the cartesian components of each point, and the parameter W is an array for the weights. The subroutines increase the integer parameter N by number of grid points generated. All these routines use the subroutine gen_oh which takes care of the octahedral symmetry of the grids. Christoph van Wuellen (Ruhr-Universitaet, Bochum, Germany) generated the routines in Lebedev-Laikov.F by translating the original C-routines kindly provided by Dmitri Laikov (Moscow State University, Moscow, Russia). We are in debt to Dmitri Laikov for giving us permission to make these routines publically available. Huub van Dam Daresbury Laboratory, Daresbury, United Kingdom April, 2000 References ========== [1] V.I. Lebedev, and D.N. Laikov "A quadrature formula for the sphere of the 131st algebraic order of accuracy" Doklady Mathematics, Vol. 59, No. 3, 1999, pp. 477-481.