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


Forgot your password?
 

Pseudopotentials for Boron

  1. LDA SGS

    Usage: LMAX=P LOC=P ECUT=20 Ry

    References: [1]
  2. BP MT

    Usage: LMAX=P LOC=P ECUT=25 Ry

    References:  [11]
    Author: Boero

  3. PBE MT

    Usage: LMAX=P LOC=P ECUT=25 Ry

    References:  [11]
    Author: Boero 

  4. BLYP MT

    Usage: LMAX=P LOC=P ECUT=25 Ry

    References:   [11]
    Author: Boero

  5. HCTH MT

    Usage: LMAX=P LOC=P ECUT=25 Ry

    Author: Boero

  6. OLYP MT

    Usage: LMAX=P LOC=P ECUT=25 Ry

    Author: Boero

  7. LDA GO

    Usage: LMAX=P LOC=P ECUT=30 Ry

    References:  [6]
    Author: Goedecker

  8. BLYP GO

    Usage: LMAX=P LOC=P ECUT=30 Ry

    References:  [6]
    Author: Goedecker

                          Document Actions
                          « December 2018 »
                          December
                          MoTuWeThFrSaSu
                          12
                          3456789
                          10111213141516
                          17181920212223
                          24252627282930
                          31