Dear users and experts, In order to calculate the optical properties (such as dielectric function, refractive index, absorption etc.) for a triclinic crystal system along the possible crystallographic directions, what are all the choices I should specify or include in the following case.inop file (The case.inop file is given for hexagonal or tetragonal system)
99999 1 number of k-points, first k-point -5.0 3.0 9999 Emin, Emax for matrix elements, NBvalMAX 2 number of choices (columns in *outmat): 2: hex or tetrag. case 1 Re xx 3 Re zz OFF ON/OFF writes MME to unit 4 Choices: 1......Re <x><x> 2......Re <y><y> 3......Re <z><z> 4......Re <x><y> 5......Re <x><z> 6......Re <y><z> 7......Im <x><y> 8......Im <x><z> 9......Im <y><z> Thanks in advance. Regards Yedukondalu, N.
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