Hello,
I tried to find the SQS of a ternary alloy, one constituent of which is 3 at.
(say A=60 at. , B= 37 at. and C=3 at. .)
So far the smallest number of atoms in the supercell (bestsqs) is 100.
Different parameters for corrdump have been tested (2=4, 5, 6 and 7).
Is there any way to find a smaller supercell (say with 80 or 90 atoms)?
Thanks