Pseudopotential for Ge

This problem explores the suitability of

\begin{displaymath}
V_{ps}(r)=-\frac{Z_v}{r} \frac{1-e^{-\lambda r}}{1+e^{-\lambda(r-r_c)}},
\end{displaymath} (1)

as a pseudopotential for germanium (Ge) when $Z_v
\equiv 4$, $r_c\equiv 1.052$ bohr, and $\lambda\equiv
18.5$ bohr$^{-1}$. This will not involve much development of new code but mostly quickly modifying (``hacking'') your atomic solver in ``broyden.c''



Subsections

Tomas Arias 2005-05-04