lib/libmol.index, but it is usually more convenient to query the database using one of the provided tools.
Many of the basis sets are taken directly from the Pacific Northwest National Laboratory basis set database, but there are others, notably the Stuttgart effective core potentials and bases.
A simple command-line interface to the database is provided through the
libmol program. It requires the environment variable
LIBMOL to point to the
lib/ directory, but this will
default to the location of the source tree at compile time, so it is
often not necessary to specify it. The command-line syntax is
libmol [-p print
] [-e element
] [-k key
] [-t type
] [-f format
where the parameters are
molpro(MOLPRO input format),
html(html table) to govern the output format.
A more convenient way of browsing the basis library is through the web interface at http://www.molpro.net/info/basis.php.