Debugging

Now, modify and rerun your hydrogen calculation in ``Hatoms.m'' and verify that you reproduce your previous results to within better than 0.005 hartree! The modification to ``Hatoms.m'' should involve only changing the initialization of W to that of a random array of size length(gbl_active)$\times$Ns. You should also notice a decrease in the iteration and an improvement in the number of iterations needed to reach convergence.
Hints: For debugging the above operators (most bugs will involve various ``nonconformant'' errors), make liberal use the size() function in your various operators in order to print out the sizes of the relevant objects from within the functions that generate errors.



Tomas Arias 2007-04-26