createXSF

---

    Create an XcrySDen Structure File from a JDFTx output file. Usage:

            createXSF <jdftxOutFile> <xsfFile> [Animated | Frames | <var1> <var2> ...]

    The simplest usage saves the final structure from the JDFTx output
    <jdftxOutFile> to <xsfFile>. Specifying "Animated" will include
    ionic positions and lattice vectors for all configurations in
    the run (if geometry or lattice optimization was performed).

    Specifying Frames will output one XSF file for each configuration.
    In this case, <xsfFile> must contain "%d", which will be substituted
    by the frame number.  For example, if <xsfFile> is test-%d.xsf,
    this will produce output files test-1.xsf, test-2.xsf etc.

    Additionally, scalar fields such as the electron density may
    also be saved, where var should name the file suffix used by JDFTx
    for that type eg. n for density, nUp for up-spin density, d_tot
    for total electrostatic potential etc. The full filenames may
    also be specified; this is a must when dump-name includes $STAMP,
    or $ITER, or if the dump was from a <freq>-dependent dump-name.
    Note that XSF is an ascii format (unlike the default binary dump)
    and adding many scalar field variables to it could make it enormous.
    Scalar fields are only supported without animation or frames.

    Note: this tool requires awk and octave to be available in path.