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Pseudopotential File

Test files

Mg.blyp-hgh.UPF
 
Pseudopotential type: NORMCONS
Method: Goedecker-Hartwigsen-Hutter-Teter 
Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr 
non relativistic

Origin: Hartwigsen-Goedeker-Hutter PP 
Author: Goedecker/Hartwigsen/Hutter/Teter
Generated in analytical, separable form. Converted from CPMD format using cpmd2upf v.5.0.1.
Uploaded by marsamos
Classification unverified  
    Mg.blyp-sp-hgh.UPF
     
    Pseudopotential type: NORMCONS
    Method: Goedecker-Hartwigsen-Hutter-Teter 
    Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr 
    Semi-core state in valence
    non relativistic
    
    Origin: Hartwigsen-Goedeker-Hutter PP 
    Author: Goedecker/Hartwigsen/Hutter/Teter
    Generated in analytical, separable form. Converted from CPMD format using cpmd2upf v.5.0.1.
    Uploaded by marsamos
    Classification unverified  
      Mg.pbe-hgh.UPF
       
      Pseudopotential type: NORMCONS
      Method: Goedecker-Hartwigsen-Hutter-Teter 
      Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
      scalar relativistic
      
      Origin: Hartwigsen-Goedeker-Hutter PP 
      Generated in analytical separable form. Converted from CPMD format using cpmd2upf v.5.0.1.
      Uploaded by qewpadmin
      Classification unverified  
        Mg.pbe-mt_fhi.UPF
         
        Pseudopotential type: NORMCONS
        Method: Martins-Troullier
        Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
        Nonlinear core correction
        scalar relativistic
        
        Origin: FHI PP from Abinit web site 
        Author: unknown  
          Generated using FHI98PP- converted with fhi2upf.x v.5.0.2
        Input File: Mg.pbe-mt_fhi.txt
        Uploaded by Layla Martin-Samos
        Classification unverified  
          Mg.pbe-nsp-bpaw.UPF
           
          Pseudopotential type: PAW
          Method: Projector Augmented-Wave (original Bloechl recipe)
          Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
          Semi-core state in valence
          Nonlinear core correction
          scalar relativistic
          
          Origin: Original QE PP library 
          Generated by 
          More Information: Mg.pbe-nsp-bpaw.txt
          Uploaded by Erica Vidal
          Classification controlled by Paolo Giannozzi
          Mg.pbe-sp-hgh.UPF
           
          Pseudopotential type: NORMCONS
          Method: Goedecker-Hartwigsen-Hutter-Teter 
          Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
          Semi-core state in valence
          scalar relativistic
          
          Origin: Hartwigsen-Goedeker-Hutter PP 
          Author: Goedecker/Hartwigsen/Hutter/Teter
          Generated in analytical separable form. Converted from CPMD format using cpmd2upf v.5.0.1.
          Uploaded by qewpadmin
          Classification unverified  
            Mg.pw-mt_fhi.UPF
             
            Pseudopotential type: NORMCONS
            Method: Martins-Troullier
            Functional type: Perdew-Wang LDA
            Nonlinear core correction
            scalar relativistic
            
            Origin: FHI PP from Abinit web site 
            Author: unknown  
              Generated using FHI98PP- converted with fhi2upf.x v.5.0.1
            Input File: Mg.pw-mt_fhi.txt
            Uploaded by Layla Martin-Samos
            Classification unverified  
              Mg.pw91-np-van.UPF
               
              Pseudopotential type: ULTRASOFT
              Method: Vanderbilt ultrasoft
              Functional type: Perdew-Wang 91 gradient-corrected functional 
              Semi-core state in valence
              Nonlinear core correction
              scalar relativistic
              
              Origin: Original QE PP library 
              Generated by Vanderbilt code version 7.0.0
              More Information: Mg.pw91-np-van.txt
              Uploaded by Erica Vidal
              Classification controlled by Paolo Giannozzi
                Mg.pz-bhs.UPF
                 
                Pseudopotential type: NORMCONS
                Method: Bachelet-Hamann-Schlueter and derived
                Functional type: Perdew-Zunger (LDA) exch-corr
                scalar relativistic
                
                Origin: Original QE PP library 
                Author: BHS
                Generated by BHS code
                Uploaded by Erica Vidal
                Classification controlled by Paolo Giannozzi
                  Mg.pz-hgh.UPF
                   
                  Pseudopotential type: NORMCONS
                  Method: Goedecker-Hartwigsen-Hutter-Teter 
                  Functional type: Perdew-Zunger (LDA) exch-corr
                  non relativistic
                  
                  Origin: Hartwigsen-Goedeker-Hutter PP 
                  Author: Goedecker/Hartwigsen/Hutter/Teter
                  Generated in analytical, separable form. Converted from CPMD format using cpmd2upf v.5.0.1.
                  Uploaded by marsamos
                  Classification unverified  
                    Mg.pz-n-vbc.UPF
                     
                    Pseudopotential type: NORMCONS
                    Method: Von Barth-Car (direct fit)
                    Functional type: Perdew-Zunger (LDA) exch-corr
                    Nonlinear core correction
                    scalar relativistic
                    
                    Origin: Original QE PP library 
                    Author: Stefano de Gironcoli
                    Generated by ld1 code
                    More Information: Mg.pz-n-vbc.txt
                    Uploaded by Erica Vidal
                    Classification controlled by Paolo Giannozzi
                      Mg.pz-sp-hgh.UPF
                       
                      Pseudopotential type: NORMCONS
                      Method: Goedecker-Hartwigsen-Hutter-Teter 
                      Functional type: Perdew-Zunger (LDA) exch-corr
                      Semi-core state in valence
                      non relativistic
                      
                      Origin: Hartwigsen-Goedeker-Hutter PP 
                      Author: Goedecker/Hartwigsen/Hutter/Teter
                      Generated in analytical, separable form. Converted from CPMD format using cpmd2upf v.5.0.1.
                      Uploaded by marsamos
                      Classification unverified