--- impurity 0 with degeneracy 4 ---
  Tr(Sigma*G)/2= 78.1492647408
  <s_oo>= 26.2707823258
  sum_i Sigma_oo(i)*n(i)/2= 81.6216562981
  <Sigma_oo>*n/2= 81.7364312747
:EORB   -1.0546076017