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QMCPACK / pseudopotentiallibrary

Repository for PseudopotentialLibrary.org website and database
https://pseudopotentiallibrary.org
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Extra basis #48

Closed aannabe closed 5 years ago

aannabe commented 5 years ago

Adding extra basis-sets for ccECP potentials. These include 6Z basis set for 1st and 2nd row and (aug-)cc-pCVnZ basis for 3d TMs.