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Pseudopotentials for Titanium

  1. LDA MT NLCC

    Usage: NLCC LMAX=D LOC=S SKIP=P ECUT=40 Ry

    References: [3]
    Author: Ballone 

  2. PBE MT NLCC

    Usage: NLCC LMAX=D LOC=S SKIP=P ECUT=40 Ry

    References: [3]
    Author: Boero

  3. BLYP MT NLCC

    Usage: NLCC LMAX=D LOC=S SKIP=P ECUT=40 Ry

    References: [3]
    Author: Boero

  4. HCTH MT NLCC

    Usage: NLCC LMAX=D LOC=S SKIP=P ECUT=40 Ry

    Author: Boero

  5. OLYP MT NLCC

    Usage: NLCC LMAX=D LOC=S SKIP=P ECUT=40 Ry

    Author: Boero

  6. BP GO

    Usage: LMAX=D LOC=D ECUT=80 Ry

    Author: Krack

  7. PBE GO

    Usage: LMAX=D LOC=D ECUT=80 Ry

    References: [54]
    Author: Krack 

  8. BLYP GO

    Usage: LMAX=D LOC=D ECUT=80 Ry

    References: [54]
    Author: Krack

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