Dear all, So far, we are dealing with bulk material (crystalline solids) properties such as electronic structure and optical properties using wien2k. Now, we are trying to calculate same properties for thin films. As a first step, we need to generate case.struct for the thin film. For this, we have searched in wien2k forum to do these kind of calculations, we didn't find any tutorial type input for thin film structure file. As a beginners, We need some basic guidelines to build the thin film structure file. So, We are requesting some one to provide the preliminary details to do so. What are all the changes in structure file from bulk to thin films ???* * Thanks in advance
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