Personal tools
You are here: Home Downloadable Files No Authentication Pseudo-Potentials Bromine
Log in


Forgot your password?
 

Pseudopotentials for Bromine

  1. LDA SGS

    Usage: LMAX=P LOC=P ECUT=70 Ry

  2. BLYP MT

    Usage: LMAX=D LOC=D ECUT=70 Ry

    References: [27]
    Author: Sprik-Ikeda 

  3. PBE MT

    Usage: LMAX=D LOC=D ECUT=70 Ry

    References: [27]
    Author: Ikeda 

  4. revPBE MT

    Usage: LMAX=D LOC=D ECUT=70 Ry

    Author: Ikeda
  5. HCTH MT

    Usage: LMAX=D LOC=D ECUT=70 Ry

    Author: Boero-Ikeda
  6. OLYP MT

    Usage: LMAX=D LOC=D ECUT=70 Ry

    Author: Boero-Ikeda
  7. XLYP MT

    Usage: LMAX=D LOC=D ECUT=70 Ry

    Author: Boero-Ikeda
  8. BLYP GO

    Usage: LMAX=D LOC=D ECUT=70 Ry

    Author: Krack
                          Document Actions
                          « October 2018 »
                          October
                          MoTuWeThFrSaSu
                          1234567
                          891011121314
                          15161718192021
                          22232425262728
                          293031