As a starter to MCSQS I have attempted to try the example the in the 2013 mcsqs paper titled "Efficient stochastic generation of special quasirandom structures, the one used for reference purposes.
I followed all the steps mentioned and when the time came to run mcsqs -n 60, I ran into a few questions:
- How long did it take for the results in the paper to be determined? My objective function becomes -3.2 and then code stays in the MC loop, continuously swapping atoms (with presumably the same value)
-I noticed at any given point (I ran for upwards of 1 day), the bestcorr file was not complete, specifically something that concerned me was the multiplicity column, which I was getting 0 for all entries. What would this imply?