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Pseudopotentials for Gold

  1. BP MT NLCC

    Usage: NLCC LMAX=D LOC=P ECUT=90 Ry

    Authors: Rousseau
  2. BLYP MT NLCC

    Usage: NLCC LMAX=D LOC=P ECUT=90 Ry

    Authors: Boero-Rojas
  3. LDA GO

    Usage: LMAX=D LOC=P ECUT=90 Ry

    References: [6]
    Authors: Goedecker-Koizumi

  4. BP GO

    Usage: LMAX=D LOC=P ECUT=90 Ry

    References: [6]
    Authors: Goedecker

  5. PBE GO

    Usage: LMAX=D LOC=P ECUT=90 Ry

    Authors: Rousseau
  6. BLYP GO

    Usage: LMAX=D LOC=P ECUT=90 Ry

    Authors: Goedecker
  7. PBE GO Q11

    Usage: LMAX=D LOC=P ECUT=90 Ry

    Authors: Ikeda-Koizumi
  8. PBE GO Q19

    Usage: LMAX=D LOC=P ECUT=90 Ry

    Authors: Ikeda
  9. BLYP Q11

    Usage: LMAX=D LOC=P ECUT=90 Ry

    Authors: Ikeda-Boero-Koizumi
  10. BLYP Q19

    Usage: LMAX=D LOC=P ECUT=90 Ry

    Authors: Ikeda-Boero-Koizumi
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