Dear Aaron
look into the QE "official" papers.
hundreds and thousands atoms can be done and have been done (not on a
desktop pc, of course. You need an HPC facility).
I suppose no code can manage millions within DFT (QM/MM is a different thing).
HTH
Giuseppe
Quoting Aaron Friesz :
Hello,
Hello, I'm looking for some help in determining how large I can make a
calculation, in terms of individual atoms. I have three possible runs and
I'd like to see if I can get an idea how feasible they are. The first has
hundreds, the second has thousands and the third has millions of atoms.
Has
