Dear avdw:
Recently I tried the mcsqs. I donot know what does the first colum(its number of pointd) from the bestcorr.out mean? How to judge the structure you got,The Objective_function? What does this number means? More close to zero, the better structure is found?
Each "correlation" represent the correlation between the occupation of "nbpt" sites in the lattice. The first column is "nbpt". So 2, means it’s a pair cluster, 3 a triplet, etc.
Thank you. Another question,If I want to do the SQS for C15 structure, which consists two Inequitable positions(8a, 16d), six atoms in primitive cell, how to set to compostion? in two initial position atoms or six atoms in primitive cell?
You can specify a different composition for each sublattice. See mcsqs -h for examples.