[Wien] (no subject)

Dear Wien2k users I have computed electronic and optical properties of AgAlO2 compound using mBJ potential which show indirect band gap 2.83 eV and direct band gap 4.23 eV. The first peak in the imaginary part of the dielectric functions occurs around 5.2 eV which lies in the UV region. My query

[Wien] Fixing of layers in relaxation + and Surface reconsrtuction

Dear User How to fix an layer in wien2k during relaxation? In many cases I read the we fixed bottom but allowed the top layer to be relaxed, although it is not very much recommended when we talk about isolated surface, but I guess we can fix the middle layer and allow the top and bottom layers to b