The ABINIT Users Mailing List ( CLOSED )

[<asorini@gmail.com>]

Hi forum,

 I have a question regarding the length of time a certain supercell 
calculation
will take that I was hoping someone could help me with. For starters, I used
abinis to optimize the geometry of a unit cell (acell 7.3 7.3 17.9) containing
eight atoms, and the calculation took about a day. Next, I created a supercell
with twice the acell value and 65 (64 plus one dopant) atoms. This calculation
is still running and I was wondering how long it will take, and/or how to
estimate in general the scaling with the number of atoms in a supercell
calculation. Both calculations have the same fixed ecut=50, and 18 kpts. I can
also send the input files if that would be helpful. Thank you very much in
advance. Cheers,

Adam