NAME

       xtp_makeauxbasis - Creates votca xml aux-basissetfiles from votca basissetfiles

DESCRIPTION

       ==================================================
       ========   VOTCA (http://www.votca.org)   ========
       ==================================================

       THE VOTCA::XTP creator aux-basissetfiles

       please submit bugs to bugs@votca.org
       xtp_update, version 1.5

       Creates votca xml aux-basissetfiles from votca basissetfiles

   optional arguments:
       -h, --help
              show this help message and exit

       -f BASISFILE, --basisfile BASISFILE
              xtp basissetfile

       -o OUTFILE, --outfile OUTFILE
              optional file to write basisset to

       -g GROUPING, --grouping GROUPING
              Cutoff  at  which  basisfunctions  are  grouped  together  in  deviation  from  the
              arithmetic mean; Default 0.1

       -c CUTOFF, --cutoff CUTOFF
              Cutoff for very localised basisfunctions; Default 60

       -e ELEMENT, --element ELEMENT
              Print out only the element specified

       -l LMAX, --lmax LMAX
              maximum angular momentum in aux basisset: Default:4

SEE ALSO

       http://www.votca.org/