[Wien] Thin film calculations using wien2k Reg.
nykondalu at gmail.com
Mon Aug 27 15:03:47 CEST 2012
So far, we are dealing with bulk material (crystalline solids)
properties such as electronic structure and optical properties using
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
As a beginners, We need some basic guidelines to build the thin film
structure file. So, We are requesting some one to provide the
details to do so. What are all the changes in structure file from bulk
to thin films ???*
Thanks in advance
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