[Wien] Virtual Crystal Approximation (VCA): not neighboring atoms in periodic table

[Qingyun Mao]

Dear Prof. Blaha and wien users,

Recently I am trying to do calculations on systems like La(x)Nb(1-x)O(y). I
searched in the mailing list and the earliest comments showed up was posted
around 2004. I saw comments like: "VCA in WINE2k is only possible between
neighboring elements, like Na-Mg or Ba-La." But I have not seen any
explanation for that yet.

May I ask the reason why we cannot use VCA for atoms which are not
neighbors (like La and Nb) in periodic table? Thanks a lot!

Regards,
Qingyun Mao

School of Applied and Engineering Physics
Cornell University
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