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anbenali 83a9ce67db 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
2019-05-24 12:18:48 -05:00
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basis 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 2019-05-24 12:18:48 -05:00
ezfio_defaults Initial commit 2019-01-25 11:39:31 +01:00
pseudo Initial commit 2019-01-25 11:39:31 +01:00
.gitignore Initial commit 2019-01-25 11:39:31 +01:00
module_gitignore Initial commit 2019-01-25 11:39:31 +01:00
qp2.png Changed QP2 logo 2019-05-15 15:56:21 +02:00
qp.png Initial commit 2019-01-25 11:39:31 +01:00
README.rst Initial commit 2019-01-25 11:39:31 +01:00

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.