Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
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Jan 21, 2020 - Python
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pseudopotentials
Here are 5 public repositories matching this topic...
Pseudopotential converter from upf to psp8
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Jan 25, 2023 - Python
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
density-functional-theory
quantum-espresso
pseudopotentials
norm-conversing
local-density-approximation
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Apr 14, 2022 - Python
Projector Augmented Wave Dataset For Actinides
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Apr 2, 2024 - Python
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.
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Updated
Aug 6, 2024 - Python
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