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Pseudopotentials for Yttrium

  1. PBE MT NLCC

    Usage: NLCC LMAX=D LOC=S SKIP=P ECUT=70 Ry

    References: [57] 
    Authors: Boero-Oshikiri 

  2. BLYP MT NLCC

    Usage: NLCC LMAX=D LOC=S SKIP=P ECUT=70 Ry 

    References: [56]
    Authors: Boero-Oshikiri 

  3. BLYP MT SEMI

    Usage: LMAX=D LOC=D ECUT=80 Ry

    References: [56]
    Authors: Boero-Oshikiri 

  4. HCTH MT SEMI

    Usage: LMAX=D LOC=D ECUT=80 Ry

    References: [32]
    Authors: Boero-Ikeda 

  5. PBE MT SEMI

    Usage: LMAX=D LOC=D ECUT=80 Ry

    Authors: Boero 

  6. PW91 MT SEMI

    Usage: LMAX=D LOC=D ECUT=80 Ry

    Authors: Boero

  7. XLYP MT SEMI

    Usage: LMAX=D LOC=D ECUT=80 Ry

    Authors: Boero 

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