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Pseudopotentials for Hafnium

  1. PBE MT

    Usage: LMAX=D LOC=S ECUT=70 Ry

    References: [37]
    Authors: Boero-Shiraishi 

  2. BLYP MT

    Usage: LMAX=D LOC=S ECUT=70 Ry

    Authors: Boero-Shiraishi 
  3. OLYP MT

    Usage: LMAX=D LOC=S ECUT=70 Ry

    Authors: Boero-Shiraishi
  4. HCTH MT

    Usage: LMAX=D LOC=S ECUT=70 Ry

    Authors: Boero 
  5. XLYP MT

    Usage: LMAX=D LOC=S ECUT=70 Ry

    Authors: Boero
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