JDFTx  1.3.1
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages

    Create a VASP CHGCAR file from a JDFTx output file. Usage:

            createVASP <jdftxOutFile> <vaspFile> [<nFilename>]

    Save the final structure and electron density from JDFTx output
    file <jdftxOutFile> to a VASP CHGCAR format file in <vaspFile>.
    The electron density is read from the appropriate filename
    determined by parsing the output; this can be overriden by
    explicitly specifying <nFilename>.

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