surfbond

SURFace BOND counting 3.48, by Helena Liu and Axel van de Walle
  -h            Display more help (Default: Off)
  -s=[string]   Input file defining a structure (Default: str.in)
  -m=[real],... Miller indices (Default: )
 -mm=[int]      Max Miller index (Default: 0)
  -b=[real]     max bond length (Default: 0)
-nph=[int]      Nb of mesh points along phi (Default: 24)
-nth=[int]      Nb of mesh points along theta (Default: 48)
-sig=[int]      Number of significant digits printed (Default: 5)
  -z=[real]     Tolerance for comparing coordinates (default: 1e-3)
  -a            new broken bond counting Algorithm (Default: Off)
  -d            Use all default values (Default: Off)


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