Hands-on session. Pseudopotentials (work done in deep collaboration with Alberto García)

Updated July 2017

  1. Check that the core is chemically inert
    PowerPoint Version     pdf Version     Pseudos, input, and README

  2. How to generate a norm-conserving pseudopotential
    PowerPoint Version     pdf Version     Pseudos, input, and README

  3. How to test the transferability of a norm-conserving pseudopotential
    PowerPoint Version     pdf Version     Pseudos, input, and README

  4. How to generate a norm-conserving pseudopotential with non-linear core corrections
    PowerPoint Version     pdf Version     Pseudos, input, and README

  5. How to generate a norm-conserving pseudopotential with the semicore explicitly included in the valence
    PowerPoint Version     pdf Version     Pseudos, input, and README

  6. How to generate a mixed pseudopotential. The Virtual Crystal Approximation in Siesta
    PowerPoint Version     pdf Version     Pseudos, input, and README

  7. Pseudopotentials in PSML format: How to use the same pseudopotentials in Siesta and Abinit
    PowerPoint Version     pdf Version     Pseudos, input, and README


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