fitsvsl

Fit Stiffness VS Length transferable force constants 3.48, by Axel van de Walle
  -f            Fit force constants (otherwise, generate pertubations) (Default: Off)
  -l=[string]   Input file defining the lattice (default: lat.in)
 -dn=[string]   Input file listing the directories containing the structures used to calculate force 
                     constants (default: strname.in)
 -er=[real]     Minimum distance between displaced atoms (Default: 0)
 -dr=[real]     Displacement of the perturbed atom (default: 0.2)
 -ms=[real]     Strain of the maximum volume sampled (default: 0.01)
 -ns=[int]      Number of volume sample (default: 2)
 -op=[int]      Order of the polynomial used to fit stiffness vs length (Default: 1)
 -dd            Use direction-dependent force constants (Default: Off)
 -pc=[int]      Maximum power of composition used in fit (default: no composition dependence)
-msl=[real]     Maximum spring length (Default: Off)
 -sf=[string]   Extra strain file (Default: )
-eqt=[real]     Tolerance for excluding force constants in plots. (Default: 2)
-sig=[int]      Number of significant digits printed (default: 5)
  -z=[real]     Tolerance for finding symmetry operations (default: 1e-3)
-ncs            No check for singular matrix in fit (Default: Off)
 -od            Use older 1-level only directory tree (Default: Off)
  -h            Display more help (Default: Off)