Basis sets used by DGauss DFT Code.
They were kindly provided by Oxford Molecular Ltd http://www.oxmol.com/
and represented here by permission. Please refer to the comments in individual
files on the conditions of use.
The latest version of basis sets is available from
Oxford Molecular ftp server in US:
ftp://ftp.oxmol.com/pub/UniChem/UniChem_basis
and UK
ftp://ftp.oxmol.co.uk/pub/UniChem/UniChem_basis
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Two versions of basis set database are included here:
1) The older format file used with DGauss 3 and earlier. It is contained
in the file basis.v3
2) The new format, as used by DGauss 4.0 and later, is in the file basis.v4
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For perl utilities to convert these basis sets to other format look up the
http://www.ccl.net/cca/software/PERL/basis/DG3_to_deMon/dg2dm.html
ftp://www.ccl.net/pub/chemistry/software/PERL/basis/DG3_to_deMon/dg2dm.html
for version 3.0, and
http://www.ccl.net/cca/software/PERL/basis/DG4_to_deMon/dgn2dm.html
ftp://www.ccl.net/pub/chemistry/software/PERL/basis/DG4_to_deMon/dgn2dm.html
for version 4.0.
Jan Labanowski
jkl@ccl.net
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