9 lines
519 B
Markdown
9 lines
519 B
Markdown
This directory contains GTH/HGH pseudopotentials for the PBE XC functional
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with partial core corrections (also known as non-linear core corrections)
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based on the data distributed with CP2K (which in turn tabulates the results
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in Phys. Rev. B 54, 1703 (1996), Phys. Rev. B 58, 3641 (1998), Theor. Chem.
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Acc. 114, 145 (2005) and J. Chem. Phys. 138, 104109 (2013)).
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Note that these are not tested by the CONQUEST developers, and should be treated
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with care. In particular, PAO generation is at present in beta phase.
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