How fast are the CUDOS MOF Utilities?
Simple answer: Finding the fundamental mode of a six-hole solid core MOF from scratch (letting the software select all appropriate parameters) takes less than one second on a Pentium 4 (at 2GHz). For a larger MOF, with 4 rings of holes, the same simulation will take about 24 seconds. Computing the dispersion curve for a usual MOF with three rings of holes between 1 and 2 micrometers takes about 10 minutes. Computing the dispersion curves for very large structures (8 rings and more) will take at least several hours. Extended answer: The time consuming step in the multipole method is to compute the determinant and/or compute the eigenvalues of the system’s matrix. The size of the matrix scales as the number of inclusions times the number of multipoles, and the determinant/eigenvalue algorithm has a complexity scaling as the cube of the matrix size. Using symmetry properties of the structure reduces the size of the matrix. The multipole method is hence very efficient for symmetric MOFs wi
