[Wien] linearization energy

Sir/Madam, I'm trying to studying band folding (or unfolding) using WIEN2k_13. I started with Tl in simple cubic structure (one Tl per unit). Then, I doubled the size of the unit by adopting a fcc structure with two Tls in a primitive cell labelled as Tl1 and Tl2 in Tl.struct file. Structure file

[Wien] Linearization energy

How to calculate linearization energy of a compound or alloy using the FPLAPW method in the Wien2k code -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110721/46db7551/attachment.htm