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Turbomole interface

Interface to the Turbomole package (Commercial).

Use of custom basis set

To use basis set not included in Turbomole's library, a basis can be provided in a file using keyword tm_basis_file. You can get the basis in Turbomole format from basis set exchange website. However, this file has to be edited to work with Turbomole: there should be only one space between element and the name of the basis set.

Some basis sets obtained this way are distributed with cuby, see the directory data/basis_sets.