[Wien] Optical graph of spin polarized system

Dear all, I am doing spin polarized calculation of a half metal compound. My question is For optical properties, when we do step addjoint-updn_lapw what does it means? Does it combine the plot for both spin-up and spin-down?  Can we represent the plot of real and imaginary parts for spin-up and

[Wien] wyckoff positions

Dear Expert Users, I am trying to generate a structure of the compound A(B4C4D2)X4Y10 with space group 63 cmcm using wien2k.  here A(B4C4D2) is cation and X4Y10 is an anion. I have some questions as follows, Kindly guide me how can I make its structure file ? For example if want to make

[Wien] CIF

Respected Members,      I used CIF in wien2k which i got from experimental data of the compound. but when i upload it, it give this error. Can't locate CGI.pm in @INC (@INC contains: /usr/local/lib64/perl5 /usr/local/share/perl5 /usr/lib64/perl5/vendor_perl

[Wien] CIF

Respected Members,                                                   Is CIF  enough to develop the structure file? Or we have to add the position of atoms individually? Regards, Junaid ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

[Wien] Positions

Respected community members,   Given the lattice constants and angles, is it possible to find the positions of atoms in a given compound manually? If possible then how to find it? Best Regards, Junaid___ Wien mailing list

[Wien] Displacement Parameters

Respected wien2k community members,     How can we generate the position of atoms in a compound from the symmetry elements of the space group?   Regards, junaid___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at