Dear users, 
As an electronic device researcher, I started to run Wien2k recently. What I'm 
interested in is to see what really happens to the electronic structures 
(bandgap and extraction of carrier mobility from it, etc.) in an alloy when the 
fraction of one of the comprising atoms is very slightly changed, by like 1 % 
or below step. Maybe we can think about Si1-xGex for x = 0.015, 0.02, 0.025, 
etc, as an example. 
If I make an approach through the supper-lattice method, i.e., if I first 
replace one of the A atoms by a B atom and send the unit cell to many 
directions, it would give a very large portion itself and very large portion 
spacing as well. Replacement of even only 1 or 2 atoms out of 8 atoms in the 
diamond structure, for example, would make 12.5% and 25% atomic fraction and 
fraction changes. So, a simple idea that struck me was it would be really good 
if there might be a way to put extrinsic atoms one by one into that already 
made supper cell having 100 or so basis atoms. 
I'm wondering if this sounds good and if it is a feasible method that has been 
accepted in running Wien2k. But, it's an idea yet even though it is a right 
way. So, it will be greatly appreciated if you share some know-hows to make 
this happen. 
Thank you for your kind helps and communications in advance. 
- Sincerely, Seongjae. 
I'm a novice in this area but having a real fun with this. Thanks for the 
supporing group and all the other users. 
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