mod_vintras Module

Initialize the potential $V$ with the electron-intracell-potentials the intracell-potential is expanded into spherical harmonics . the lm-term of the intracell-potential of the representive atom i is given by $$\begin{equation} V\left(r,lm,i\right)=\frac{8\pi}{2l+1}\left(\int_{0}^{r}dr'\frac{r'^{l}}{r^{l+1}} rho2ns(r',lm,i,1) +\int_{r}^{r_{cut}}dr' \frac{r^l}{r'^{l+1}}rho2ns(r',lm,i,1) ) \right) \end{equation}$$ the lm contribution of the charge moment of the representive atom i is given by $$\begin{equation} cmom\left(lm,i\right)=\int_{0}^{r_{cut}} dr'!r'^{l}rho2ns(r',lm,i,1) \end{equation}$$ (see notes by b.drittler and u.klemradt) $r_{cut}$ is muffin tin or Wigner-Seitz sphere radius, depending on kshape turned on or off