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QMCPACK / pseudopotentiallibrary

Repository for PseudopotentialLibrary.org website and database
https://pseudopotentiallibrary.org
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UPF format potentials are needed #24

Closed prckent closed 5 years ago

prckent commented 6 years ago

This is noted on the roadmap, but I'll call it out here too. For use with QE and most other, other plane-wave codes, a file with reasonable projectors is needed. I believe that from UPF we could convert to any other requested plane-wave code.

prckent commented 5 years ago

UPF potentials have been added for nearly all the available potentials so I will close this issue. Experience is needed using the projectors in the potentials.