Hi Dear siesta user I calculeted optical properties of Gen (n = 2,8)clusters with siesta by annealing simulated method. I obtained Gen.EPSIMG file for each clusters but the the problem is Ge2.EPSIMG file has been generated to e2.dat this last has been generated to optical properties (epsilon_real.out, epsilon_img.out,.... )but the rest of the clusters Ge3, Ge4 ,.... are not being generated to e2.dat and the terminal is print: .................................................. ## 0.0000000000000000 136.03989999999999 ## 1 ## 0.63890000000000002 ## 0.0000000000000000 Fsum rule is not fulfilled by more than a 20% The dielectric function will be extended to higher energies by enforcing the Fsum rule This will increase the quality of the quantities calculated via the Kramers-Kroning relation ..................................................... and the part of optical properties calculation in fdf is: OpticalCalculation .true. %block Optical.Mesh 20 20 20 %endblock Optical.Mesh Optical.OffsetMesh .true. Optical.PolarizationType unpolarized %block Optical.Vector 1.0 0.0 0.0 %endblock Optical.Vector Optical.Broaden 0.2 eV Optical.EnergyMaximum 30.0 eV Optical.EnergyMinimum 0.0 eV Can any one help me? soumaia
