After optic, you proceed with joint and kram (see User Guide).
Cheers, Karel --- x --- dr. Karel Vyborny Fyzikalni ustav AV CR, v.v.i. Cukrovarnicka 10 Praha 6, CZ-16253 tel: +420220318459 On Wed, 4 Oct 2017, lokanath patra wrote:
Dear Wien2K experts, I am trying to calculate the optical properties of Ni with SO coupling. I have prepared my case.inop file which looks like 99999 1 number of k-points, first k-point -5.0 3.0 9999 Emin, Emax for matrix elements, NBvalMAX 3 number of choices (columns in *outmat): 2: hex or tetrag. case 1 Re xx 3 Re zz 7 Im xy OFF ON/OFF writes MME to unit 4 Then I proceeded with x opticc -so -up and got the three components i.e. Re xx, Re zz and Im xy in case.symmatup file. From here, how should I proceed with the calculations so that I can get all these components in the case.absorpup file after x kram -up ? As I want to proceed with MOKE calculations, I want the xy components also. Please help me. Best regards, Lokanath -- Lokanath PatraPh.D Scholar Dept. of Physics School of Applied and Basic Sciences Central University of Tamil Nadu Thiruvarur Tamil Nadu - 610101 Ph no - +91-8675834507 [icon-envelope-tick-green-avg-v1.png] Virus-free. www.avg.com
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