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Pseudopotentials for Hydrogen

  1. LDA BHS

    Usage: LMAX=S LOC=S ECUT=25 Ry

    References: [1]
  2. HCTH CVB

    Usage: LMAX=S LOC=S ECUT=20 Ry

    Author: Giannozzi 
  3. PBE CVB

    Usage: LMAX=S LOC=S ECUT=20 Ry

  4. LDA GO

    Usage: LMAX=S LOC=S ECUT=30 Ry

    References: [6]
    Author: Goedecker 
  5. BLYP GO

    Usage: LMAX=S LOC=S ECUT=30 Ry

    References: [6]
    Author: Goedecker 
  6. BLYP MT

    Usage: LMAX=S LOC=S ECUT=25 Ry

    References: [3]
    Author: Boero 
  7. BP MT

    Usage: LMAX=S LOC=S ECUT=25 Ry

    References: [15]
    Author: Boero 
  8. HCTH MT

    Usage: LMAX=S LOC=S ECUT=25 Ry

    References: [5]
    Author: Boero 
  9. LDA MT

    Usage: LMAX=S LOC=S ECUT=25 Ry

    References: [2]
    Author: Ballone
  10. OLYP MT

    Usage: LMAX=S LOC=S ECUT=25 Ry

    Author: Boero 
  11. PBE MT

    Usage: LMAX=S LOC=S ECUT=25 Ry

    References: [4]
    Author: Rousseau 
  12. PW91 MT

    Usage: LMAX=S LOC=S ECUT=25 Ry

    Author: Boero-Rousseau 
  13. XLYP MT

    Usage: LMAX=S LOC=S ECUT=25 Ry

    Author: Hutter 
  14. revPBE MT

    Usage: LMAX=S LOC=S ECUT=25 Ry

    References:
  15. BLYP CVB

    Usage: LMAX=S LOC=S ECUT=20 Ry

    References: [7] 
    Author: Giannozzi  
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