1 nout (how many left out) / there is a check anyway / 0 itest ( write out diag.mat) 1.0 velocity parameter /0.1 is very slow / 0.05 delta time 3 dimension of matrix 1.0 E(1) diagonal energies 2.0 E(2) 2.1 E(3) -0.3 0.1 V (1,1) a (1,1) 0.4 0.15 V (1,2) a (1,2) -0.5 0.14 V (1,3) a (1,3) -1.5 0.9 V (2,2) a (2,2) 2.1 0.1 V (2,3) a (2,3) -1.1 0.125 V (3,3) a (3,3) 50 0.12 No of b step in b You can paste from this file Other suggested valuesIndex