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![]() * Adding Basis Sets and ECP from NCSU. When available He core ECP are chosen instead of large core. This applies to Na Mg Al Si P S Cl and Ar * ECP from ncsu * Update Readme file with description of Basis Set |
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README.rst |
==== Data ==== This directory contains all the data files needed for the Quantum Package. The `basis` directory contains some of the most popular basis sets, and the `pseudo` directory contains pseudopotential data.