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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

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