External module function dchargedensity_coeff1 - used by mcdisp

In order to visualize charge density fluctuations the external single ion module has to provide the transition matrix elements of the chargedensity coefficient operator $\sum_i \hat Z_{lm}(\Omega_i)$ by a vector $cd1$, which is given by: ${\rm cd1}^s_{\alpha=lm}=\sqrt{(p_--p_+)}\langle -\vert\sum_i \hat Z^s_{lm}(\Omega_i)-\langle \sum_i\hat Z^s_{lm}(\Omega_i)\rangle_{\mathbf H,T}\vert+\rangle$.

The format to be used is:

extern "C" int dchargedensity_ceoff1(int & tn,double & T,Vector & Hxc,Vector & Hext,double * g_J,Vector & MODPAR,
char ** sipffilename,ComplexVector & cd1,float & maxE, ComplexMatrix & est)
The meaning of the symbols follows exactly that of function dm1 and therefore not explained here.



Martin Rotter 2017-01-10