[Wien] amorphous binary rare-earth transition metal alloys

[Rubel, Oleg]

Here are my two cents:
Amorphous structures is an advanced topic, but not impossible. Our group has calculated the electronic structure of amorphous Se in the past with WIEN2k (https://olegrubel.mcmaster.ca/publications/2012/Darbandi_JPCM_24_2012.pdf), but we had to construct the structural model ourselves using a pre-existing recipe (see Refs. 21-23 therein). This recipe is not universal though. Alternatively, there should also be literature on the phase-change GST compound. I have seen amorphous structures created using ab initio MD by heating up (melting) and slowly cooling down, which is a more "universal" method.

In summary: I do not think WIEN2k has tools that are dedicated to facilitate creation of an amorphous structure. But if you manage to generate a reasonable structure somehow, it should be possible to calculate its electronic structure with WIEN2k.

I hope it will help
Oleg