[attachment deleted]Hi
I would like to generate SQSs for Co3(Al,W), which is fcc L12.
I am following the tutorial in section "7.1.10 gensqs" from the ATAT manual and I am using version 2.71 of the ATAT package. I have created both a lattice and a structure input file. I need to create a target correlation file first using the following command (as given in the manual):
corrdump -noe -2=maxradius -rnd -s=Co3AlW_l12_struc.in > tcorr.out
But this did not work, I would get this error: "Need at least one site with multiple species in lattice file."
So then I created the lattice file and used this command (since a structure file cannot have multiple species at a lattice point):
corrdump -noe -2=maxradius -rnd -l=Co3AlW_l12_lat.in > tcorr.out
This produced the sym.out file which has the correct number of symmetry operations, 48.
However it also produced this text: "Specify -2=range -3=range etc." I have tried placing "-2=range" in the command above but I can still not produce a non-empty tcorr.out file.
Thanks in advance. [attachment deleted]