QMCPACK / pseudopotentiallibrary

Repository for PseudopotentialLibrary.org website and database
https://pseudopotentiallibrary.org
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add spin-orbit ccECPs for heavy elements from the arXiv paper #73

Closed gmwang18 closed 2 years ago

gmwang18 commented 2 years ago

I added the spin-orbit ccECPs for heavy elements from the arXiv paper. It might be subject to change after peer review.

prckent commented 2 years ago

Thanks. Will also test #68 on these.