gensqs

GENerate Special Quasirandom Structures 3.48, by Axel van de Walle
  -n=[int]      nb of atom/unit cell (Default: 0)
-sig=[int]      Number of significant digits to print in output files (Default: 6)
 -cf=[string]   Input file defining the clusters (default: clusters.out)
 -tc=[string]   Input file defining the target correlations (default: tcorr.out)
-tol=[real]     Tolerance for matching correlations (default: 1e-3)
  -l=[string]   Input file defining the lattice (default: lat.in)
 -rc            Read unit cells from file (Default: Off)
 -pc            Print number of supercells only, and quit (Default: Off)
 -tp=[int]      Total number of processes (for parallel operation) (Default: 1)
 -ip=[int]      Index of current process (0,...,tp-1) (for parallel operation) (Default: 0)
-crf=[string]   Select correlation functions (default: trigo)
  -h            Display more help (Default: Off)


[email protected] Wed, Dec 6, 2023 12:55:16 PM