DOKK / manpages / debian 11 / votca-xtp / xtp_makeauxbasis.1.en
XTP_MAKEAUXBASIS(1) User Commands XTP_MAKEAUXBASIS(1)

xtp_makeauxbasis - Creates votca xml aux-basissetfiles from votca basissetfiles

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

show this help message and exit
xtp basissetfile
optional file to write basisset to
Cutoff at which basisfunctions are grouped together in deviation from the arithmetic mean; Default 0.1
Cutoff for very localised basisfunctions; Default 60
Print out only the element specified
maximum angular momentum in aux basisset: Default:4

http://www.votca.org/

February 2019 xtp_makeauxbasis 1.5