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Pseudopotentials for Magnesium

  1. LDA SGS

    Usage: LMAX=S LOC=S ECUT=40 Ry

  2. HCTH SGS

    Usage: LMAX=S LOC=S ECUT=40 Ry

  3. HCTH MT NLCC

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

    References: [5]
    Author: Boero 

  4. BP MT NLCC

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

    Author: Boero 

  5. BLYP MT NLCC

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

    Author: Boero 

  6. BLYP MT NLCC soft

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

    Author: Boero 

  7. BP MT SEMI

    Usage: LMAX=P LOC=P ECUT=80 Ry

    Author: Boero 

  8. PBE MT SEMI

    Usage: LMAX=P LOC=P ECUT=80 Ry

    Author: Boero 

  9. revPBE MT SEMI

    Usage: LMAX=P LOC=P ECUT=80 Ry

    Author: Boero-Ikeda

  10. BLYP MT SEMI

    Usage: LMAX=P LOC=P ECUT=80 Ry

    Author: Boero 

  11. HCTH MT SEMI

    Usage: LMAX=P LOC=P ECUT=80 Ry

    References: [5]
    Author: Boero 

  12. XLYP MT SEMI NLCC

    Usage: NLCC LMAX=P LOC=P ECUT=80 Ry

    Author: Boero 

  13. PBE GO SEMI

    Usage: LMAX=P LOC=P ECUT=80 Ry

    Author: Ikeda 

  14. PBE MT NLCC

    Usage: NLCC LMAX=S LOC=S ECUT=40 Ry

    Author: Celino 

  15. LDA GO

    Usage: LMAX=S LOC=S ECUT=70 Ry

    References: [6]
    Author: Goedecker 

  16. BLYP GO

    Usage: LMAX=S LOC=S ECUT=70 Ry

    References: [6]
    Author: Goedecker 

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