fitsvsl

Fit Stiffness VS Length transferable force constants 2.81, by Axel van de Walle
  -f          Fit force constants (otherwise, generate pertubations)
  -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
 -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
 -dd          Use direction-dependent force constants
 -pc=[int]    Maximum power of composition used in fit (default: no composition dependence)
-msl=[real]   Maximum spring length
 -sf=[string] Extra strain file
-eqt=[real]   Tolerance for excluding force constants in plots.
-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
 -od          Use older 1-level only directory tree
  -h          Display more help