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Pseudopotential File

Test files

Sr.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  
    Sr.pbe-mt_fhi.UPF
     
    Pseudopotential type: NORMCONS
    Method: Martins-Troullier
    Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
    Nonlinear core correction
    non relativistic
    
    Origin: FHI PP from Abinit web site 
    Author: unknown  
      Generated using FHI98PP- converted with fhi2upf.x v.5.0.2
    Input File: Sr.pbe-mt_fhi.txt
    Uploaded by Layla Martin-Samos
    Classification unverified  
      Sr.pbe-nsp-van.UPF
       
      Pseudopotential type: ULTRASOFT
      Method: Vanderbilt ultrasoft
      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 Vanderbilt code version 7.3.4
      More Information: Sr.pbe-nsp-van.txt
      Uploaded by Erica Vidal
      Classification controlled by Paolo Giannozzi
        Sr.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  
          Sr.pbe-sp-van.UPF
           
          Pseudopotential type: ULTRASOFT
          Method: Vanderbilt ultrasoft
          Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
          Semi-core state in valence
          scalar relativistic
          
          Origin: Original QE PP library 
          Generated by Vanderbilt code version 7.3.4
          More Information: Sr.pbe-sp-van.txt
          Uploaded by Erica Vidal
          Classification controlled by Paolo Giannozzi
            Sr.pw-mt_fhi.UPF
             
            Pseudopotential type: NORMCONS
            Method: Martins-Troullier
            Functional type: Perdew-Wang LDA
            Nonlinear core correction
            non relativistic
            
            Origin: FHI PP from Abinit web site 
            Author: unknown  
              Generated using FHI98PP- converted with fhi2upf.x v.5.0.1
            Input File: Sr.pw-mt_fhi.txt
            Uploaded by Layla Martin-Samos
            Classification unverified  
              Sr.pw91-nsp-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 7.3.5
              More Information: Sr.pw91-nsp-van.txt
              Uploaded by Erica Vidal
              Classification controlled by Paolo Giannozzi
                Sr.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  
                  Sr.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