Debugging

After switching from the simple harmonic oscillator potential to the pseudopotential for Ge, run ``Ge.m'' and taking note of the final total energy and also the final eigenvalues stored in the variable epsilon. You should find a degeneracy pattern consistent with one s and three p states. You should find about 20% agreement with the s-p energy difference from the atomic code. You cannot compare the total energy yet (you should have a value of about -0.873 hartree), however, because you do not yet have the nuclear-nuclear contribution, which we will find in the next part.



Tomas Arias 2005-05-04