Projector Augmented Wave Dataset For Actinides
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Updated
Apr 2, 2024 - Python
Projector Augmented Wave Dataset For Actinides
A library to parse CP2K basis sets and GTH pseudopotentials, which also comes with a webserver to find out and select a basis set and its matching pseudopotential for your CP2K calculations.
Pseudopotential converter from upf to psp8
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
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