#include #include #include double schrod (double dr, int nr, double pot[], double wf[], double ewert, double de, double egenau, double emax); void evxc3d (double dr, int nr, double Rf[], double rho[], double pot[], double *vxctot, double *exctot, int modus); double vxc_hl (double rho, double *exc); double vxc_pz (double rho, double *exc); double pois3d (double dr, int nr, double rf[], double rho[], double pot[]); #define PI 3.14159265358979323846264