# Phidc= 140.345088365 # Tr(Sigma*G)/2= 69.8215926584 # Tr(Sigma*G)/2-Phidc= -70.5234957062 # Tr(log(1+S*G))-Tr(log(G))+E_imp= -64.3877554401 # Tr(log(-Gimp))= -27.0126098372 # Eimpurity= -94.2157170266 69.8215926584 :IEORB -5.18338178382 :XEORB -4.73241315263