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Pseudopotentials for Mercury

  1. LDA SEMI

    Usage: LMAX=D LOC=S ECUT=80 Ry

    References: [52]
    Authors: Boero-Gygi 

  2. PBE SEMI

    Usage: LMAX=D LOC=S ECUT=80 Ry

    References: [52]
    Authors: Boero-Gygi

  3. BLYP SEMI

    Usage: LMAX=D LOC=S ECUT=80 Ry

    References: [52]
    Authors: Boero-Gygi

  4. HCTH SEMI

    Usage: LMAX=D LOC=S ECUT=80 Ry

    References: [52]
    Authors: Boero-Gygi

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