hi i want calculate optical properties of graphene,Howmuch is usefull for max & min energy in fdf file? thanks...
part of fdf file: OpticalCalculation .true. Optical.EnergyMinimum Ry Optical.EnergyMaximum Ry Optical.Broaden 0.007 Ry Optical.Scissor 0 Ry Optical.Number of Bands All bands %block Optical.Mesh 2 2 2 %endblock Optical.Mesh Optical.OffsetMesh .true. Optical.Polarization Type Polarized %block Optical.Vector 1.0 0.0 0.5 %endblock Optical.Vector
