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Anouar Benali 452bd1142f NCSU ECP and Basis set (#41) 
* 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
2019-05-24 16:19:34 -05:00
..
basis NCSU ECP and Basis set (#41) 2019-05-24 16:19:34 -05:00
ezfio_defaults Initial commit 2019-01-25 11:39:31 +01:00
pseudo NCSU ECP and Basis set (#41) 2019-05-24 16:19:34 -05:00
.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.