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


Forgot your password?
 

Pseudopotentials for Manganese

  1. PBE MT NLCC

    Usage: NLCC LMAX=D LOC=S ECUT=60 Ry

    Author: Ardevol-Rovira 
  2. BLYP MT NLCC

    Usage: NLCC LMAX=D LOC=S SKIP=P ECUT=60 Ry

    Author: Ardevol-Boero 
  3. HCTH MT NLCC

    Usage: NLCC LMAX=D LOC=S SKIP=P ECUT=60 Ry

    Author: Ardevol-Boero
  4. BLYP MT SEMI

    Usage: LMAX=D LOC=D or S ECUT=80 Ry

                          Document Actions
                          « March 2017 »
                          March
                          MoTuWeThFrSaSu
                          12345
                          6789101112
                          13141516171819
                          20212223242526
                          2728293031