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XTP_BASISSET(1) User Commands XTP_BASISSET(1)

NAME

xtp_basisset - Creates votca xml basissetfiles from NWCHEM basissetfiles

DESCRIPTION

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======== VOTCA (http://www.votca.org) ========
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THE VOTCA::XTP converter basissetfiles

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

Creates votca xml basissetfiles from NWCHEM basissetfiles

optional arguments:

show this help message and exit
NWchem file containing the basisset or Turbomole folder with element names.
Path of votca outputfile
For turbomole specify the basisset that is supposed to be extracted from Files, for auxbasis sets the basisset the aux basisset is supposed to be used for.

SEE ALSO

http://www.votca.org/

February 2019 xtp_basisset 1.5