Question on clusters.out and average correlations in memc2

Alloy Theoretic Automated Toolkit (ATAT)
1

Hello!

I am trying to do cluster expansion and monte carlo for multi component systems.

  1. Could you please elucidate what it means if mmaps considers, let’s say, three pairs which have the same coordinates and diameter but different multiplicities and cluster functions as seen in the clusters.out for cluster expansion?
  2. Also, correspondingly in memc2 I have the same number of output entries of average correlations. What does average correlation (core_n_d) mean here…I am not able to figure it out clearly? Does it directly correspond to the lattice occupations? And in my case, where the clusters are all pairs and the diameter is the same, how can one figure out the occupation of a particular site at a particular temperature from average correlation? Or is there some other way to do this?

Thank you,
Sriram.

2

Dear Dr.Axel,

Please let me know your thoughts on the previous question and mainly I would like to know how can one calculate the lattice occupations in ATAT?

Thank you,
Sriram.