hi, i would calculate the optical properties of Gen (n= 2,8) clusters using annealing simulated method. for this reason i have instaled the siesta-3.1 and linux fedora 20. i have tried to run the optical properties of the Gen (n= 2,8) clusters. the optical properties was calculated in normal manner with: ...................................................................................... 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 ................................................................................................................................ I obtained Gen.EPSIMG file for each clusters but the problem is the file Ge2..EPSIMG is generated to the file e2.dat and the rest of the files (Ge3.EPSIMG, Ge4.EPSIMG,........) have not generated with the next error message: .................................................................................................. ## 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 .......................................................................................................... soumaia djaadi department of physic university of ouargla algeria
