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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-n-kjpaw_psl.0.3.0.upf
           
          Pseudopotential type: PAW
          Method: Projector Augmented-Wave (Kresse-Joubert paper)
          Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
          Nonlinear core correction
          scalar relativistic
          
          Origin: PS Library
          Author: Andrea Dal Corso
          Generated by atomic
          Uploaded by giannozz
          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