Run your code with the same
, number of intervals N, change of
variables
and form for exchange and correlation as in
Problem 2.1.1, but now compute the total energy of Carbon. A
suitable initialization for Carbon, which has the electronic structure
, is
/* Specs for C */
Z=6.;
lmax=1;
nmax=ivector(0,lmax);
nmax[0]=1;
nmax[1]=0;
nmaxmax=0;
for (l=0; l<=lmax; l++)
if (nmax[l]>nmaxmax) nmaxmax=nmax[l];
F=dmatrix(0,lmax,0,nmaxmax);
F[0][0]=2.; /* 1s */
F[0][1]=2.; /* 2s */
F[1][0]=2.; /* 2p */
Again, compare your results with the official results
http://math.nist.gov/DFTdata/atomdata/tables