remap forceconstant

Short description

Takes a set of forceconstants and a unit cell and outputs them for a different unit cell. The lattices must be equivalent, and if the new lattice is rotated with respect to old the rotation matrix has to be specified.

Command line options:

Optional switches:

  • --help, -h
    Print this help message

  • --version, -v
    Print version

Examples

remap_forceconstant

Longer summary

What should be here

  • explain how my force constant structure works, and how it can be remapped.
  • emphasize that there is no particular cell attached to a forceconstant.
  • one simple example, fcc primitive to fcc conventional.
  • one more annoying, take the one with fcc as a hexagonal cell.