Hands-on session. Pseudopotentials
(work done in deep collaboration with Alberto García)
Updated July 2017
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Check that the core is chemically inert
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Pseudos, input, and README
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How to generate a norm-conserving pseudopotential
PowerPoint Version
pdf Version
Pseudos, input, and README
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How to test the transferability of a norm-conserving pseudopotential
PowerPoint Version
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Pseudos, input, and README
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How to generate a norm-conserving pseudopotential with non-linear
core corrections
PowerPoint Version
pdf Version
Pseudos, input, and README
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How to generate a norm-conserving pseudopotential with the
semicore explicitly included in the valence
PowerPoint Version
pdf Version
Pseudos, input, and README
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How to generate a mixed pseudopotential. The Virtual Crystal Approximation
in Siesta
PowerPoint Version
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Pseudos, input, and README
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Pseudopotentials in PSML format: How to use the same pseudopotentials in Siesta and Abinit
PowerPoint Version
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Pseudos, input, and README
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