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


Forgot your password?
 

Pseudopotentials for Sulphur

  1. LDA SGS

    Usage: LMAX=D LOC=D ECUT=35 Ry

  2. BP MT

    Usage: LMAX=D LOC=D ECUT=35 Ry

    Author: Boero 
  3. BLYP MT

    Usage: LMAX=D LOC=D ECUT=35 Ry

    References: [4]
    Author: Rousseau 

  4. PBE MT

    Usage: LMAX=D LOC=D ECUT=35 Ry

    Author: Rousseau

  5. revPBE MT

    Usage: LMAX=D LOC=D ECUT=35 Ry
    Author: Boero

  6. HCTH MT

    Usage: LMAX=D LOC=D ECUT=35 Ry

    Author: Ikeda

  7. OLYP MT

    Usage: LMAX=D LOC=D ECUT=35 Ry

    Author: Boero-Ikeda

  8. LDA GO

    Usage: LMAX=P LOC=P ECUT=40 Ry

    Author: Rousseau 

  9. PBE GO

    Usage: LMAX=P LOC=P ECUT=40 Ry
    Author: Rousseau 

                          Document Actions
                          « June 2017 »
                          June
                          MoTuWeThFrSaSu
                          1234
                          567891011
                          12131415161718
                          19202122232425
                          2627282930