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


Forgot your password?
 

Pseudopotentials for Gallium

  1. LDA SGS

    Usage: LMAX=D LOC=S ECUT=40 Ry 

  2. BP MT NLCC

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

    Author: Boero 
  3. BLYP MT

    Usage: LMAX=D LOC=S ECUT=40 Ry 

    References: [35]
    Author: Giannozzi 

  4. BLYP MT NLCC

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

    References: [35]
    Author: Giannozzi 

  5. LDA GO

    Usage: LMAX=D LOC=P (or D) ECUT=50 Ry

    Author: Goedecker
  6. PBE GO

    Usage: LMAX=D LOC=P (or D) ECUT=50 Ry

    Author: Krack
  7. BLYP GO

    Usage: LMAX=D LOC=P (or D) ECUT=50 Ry

    Author: Krack
                          Document Actions
                          « April 2017 »
                          April
                          MoTuWeThFrSaSu
                          12
                          3456789
                          10111213141516
                          17181920212223
                          24252627282930