hi siesta users i run (3,3) cnt by siesta 2.0.2 and also calculate optical propertise, but i get f-sum rule's error that don't full filled more than 20% .i know that should change Optical.Energy Maximum & Optical.Broaden but i don't know how much is useful.my optical input data is:
OpticalCalculation .true. Optical.EnergyMinimum 0 eV Optical.EnergyMaximum 90 eV Optical.Broaden 0.099 eV Optical.Scissor 0 eV Optical.Number of Bands All bands %block Optical.Mesh 1 1 60 %endblock Optical.Mesh Optical.OffsetMesh .true. Optical.Polarization Type Polarized %block Optical.Vector 0.0 0.0 1.0 %endblock Optical.Vector please guide me. for (4,4) cnt how much of these values are useful? Best Regard....
