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Pseudopotential File

Test files

Sn.pbe-dn-kjpaw_psl.0.2.UPF
 
Pseudopotential type: PAW
Method: Projector Augmented-Wave (Kresse-Joubert paper)
Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
Semi-core state in valence
Nonlinear core correction
scalar relativistic

Origin: PS Library
Author: Andrea Dal Corso
Generated using atomic code by A. Dal Corso  v.5.0.2 svn rev. 9415
Uploaded by Erica Vidal
Classification controlled by Andrea Dal Corso
    Sn.pbe-dn-rrkjus_psl.0.2.UPF
     
    Pseudopotential type: ULTRASOFT
    Method: Rappe Rabe Kaxiras Joannopoulos
    Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
    Semi-core state in valence
    Nonlinear core correction
    scalar relativistic
    
    Origin: PS Library
    Author: Andrea Dal Corso
    Generated using atomic code by A. Dal Corso  v.5.0.2 svn rev. 9415
    Uploaded by Erica Vidal
    Classification controlled by Andrea Dal Corso
      Sn.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 
      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  
        Sn.pbe-mt_fhi.UPF
         
        Pseudopotential type: NORMCONS
        Method: Martins-Troullier
        Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
        non relativistic
        
        Origin: FHI PP from Abinit web site 
        Author: unknown  
          Generated using FHI98PP- converted with fhi2upf.x v.5.0.2
        Input File: Sn.pbe-mt_fhi.txt
        Uploaded by Layla Martin-Samos
        Classification unverified  
          Sn.pbesol-dn-kjpaw_psl.0.2.UPF
           
          Pseudopotential type: PAW
          Method: Projector Augmented-Wave (Kresse-Joubert paper)
          Functional type: PBESOL
          Semi-core state in valence
          Nonlinear core correction
          scalar relativistic
          
          Origin: PS Library
          Author: Andrea Dal Corso
          Generated using atomic code by A. Dal Corso  v.5.0.2 svn rev. 9415
          Uploaded by Erica Vidal
          Classification controlled by Andrea Dal Corso
            Sn.pbesol-dn-rrkjus_psl.0.2.UPF
             
            Pseudopotential type: ULTRASOFT
            Method: Rappe Rabe Kaxiras Joannopoulos
            Functional type: PBESOL
            Semi-core state in valence
            Nonlinear core correction
            scalar relativistic
            
            Origin: PS Library
            Author: Andrea Dal Corso
            Generated using atomic code by A. Dal Corso  v.5.0.2 svn rev. 9415
            Uploaded by Erica Vidal
            Classification controlled by Andrea Dal Corso
              Sn.pw-mt_fhi.UPF
               
              Pseudopotential type: NORMCONS
              Method: Martins-Troullier
              Functional type: Perdew-Wang LDA
              non relativistic
              
              Origin: FHI PP from Abinit web site 
              Author: unknown  
                Generated using FHI98PP- converted with fhi2upf.x v.5.0.1
              Input File: Sn.pw-mt_fhi.txt
              Uploaded by Layla Martin-Samos
              Classification unverified  
                Sn.pw91-n-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: Sn.pw91-n-van.txt
                Uploaded by Erica Vidal
                Classification controlled by Paolo Giannozzi
                  Sn.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: X. Gonze et al.
                  Generated by 
                  More Information: Sn.pz-bhs.txt
                  Uploaded by Erica Vidal
                  Classification controlled by Paolo Giannozzi
                    Sn.pz-dn-kjpaw_psl.0.2.UPF
                     
                    Pseudopotential type: PAW
                    Method: Projector Augmented-Wave (Kresse-Joubert paper)
                    Functional type: Perdew-Zunger (LDA) exch-corr
                    Semi-core state in valence
                    Nonlinear core correction
                    scalar relativistic
                    
                    Origin: PS Library
                    Author: Andrea Dal Corso
                    Generated using atomic code by A. Dal Corso  v.5.0.2 svn rev. 9415
                    Uploaded by Erica Vidal
                    Classification controlled by Andrea Dal Corso
                      Sn.pz-dn-rrkjus_psl.0.2.UPF
                       
                      Pseudopotential type: ULTRASOFT
                      Method: Rappe Rabe Kaxiras Joannopoulos
                      Functional type: Perdew-Zunger (LDA) exch-corr
                      Semi-core state in valence
                      Nonlinear core correction
                      scalar relativistic
                      
                      Origin: PS Library
                      Author: Andrea Dal Corso
                      Generated using atomic code by A. Dal Corso  v.5.0.2 svn rev. 9415
                      Uploaded by Erica Vidal
                      Classification controlled by Andrea Dal Corso
                        Sn.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  
                          Sn.rel-pbe-dn-kjpaw_psl.0.2.UPF
                           
                          Pseudopotential type: PAW
                          Method: Projector Augmented-Wave (Kresse-Joubert paper)
                          Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                          Semi-core state in valence
                          Nonlinear core correction
                          full relativistic
                          
                          Origin: PS Library
                          Author: Andrea Dal Corso
                          Generated using atomic code by A. Dal Corso  v.5.0.2 svn rev. 9415
                          Uploaded by Erica Vidal
                          Classification controlled by Andrea Dal Corso
                            Sn.rel-pbe-dn-rrkjus_psl.0.2.UPF
                             
                            Pseudopotential type: ULTRASOFT
                            Method: Rappe Rabe Kaxiras Joannopoulos
                            Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                            Semi-core state in valence
                            Nonlinear core correction
                            full relativistic
                            
                            Origin: PS Library
                            Author: Andrea Dal Corso
                            Generated using atomic code by A. Dal Corso  v.5.0.2 svn rev. 9415
                            Uploaded by Erica Vidal
                            Classification controlled by Andrea Dal Corso
                              Sn.rel-pbesol-dn-kjpaw_psl.0.2.UPF
                               
                              Pseudopotential type: PAW
                              Method: Projector Augmented-Wave (Kresse-Joubert paper)
                              Functional type: PBESOL
                              Semi-core state in valence
                              Nonlinear core correction
                              full relativistic
                              
                              Origin: PS Library
                              Author: Andrea Dal Corso
                              Generated using atomic code by A. Dal Corso  v.5.0.2 svn rev. 9415
                              Uploaded by Erica Vidal
                              Classification controlled by Andrea Dal Corso
                                Sn.rel-pbesol-dn-rrkjus_psl.0.2.UPF
                                 
                                Pseudopotential type: ULTRASOFT
                                Method: Rappe Rabe Kaxiras Joannopoulos
                                Functional type: PBESOL
                                Semi-core state in valence
                                Nonlinear core correction
                                full relativistic
                                
                                Origin: PS Library
                                Author: Andrea Dal Corso
                                Generated using atomic code by A. Dal Corso  v.5.0.2 svn rev. 9415
                                Uploaded by Erica Vidal
                                Classification controlled by Andrea Dal Corso
                                  Sn.rel-pz-dn-kjpaw_psl.0.2.UPF
                                   
                                  Pseudopotential type: PAW
                                  Method: Projector Augmented-Wave (Kresse-Joubert paper)
                                  Functional type: Perdew-Zunger (LDA) exch-corr
                                  Semi-core state in valence
                                  Nonlinear core correction
                                  full relativistic
                                  
                                  Origin: PS Library
                                  Author: Andrea Dal Corso
                                  Generated using atomic code by A. Dal Corso  v.5.0.2 svn rev. 9415
                                  Uploaded by Erica Vidal
                                  Classification controlled by Andrea Dal Corso
                                    Sn.rel-pz-dn-rrkjus_psl.0.2.UPF
                                     
                                    Pseudopotential type: ULTRASOFT
                                    Method: Rappe Rabe Kaxiras Joannopoulos
                                    Functional type: Perdew-Zunger (LDA) exch-corr
                                    Semi-core state in valence
                                    Nonlinear core correction
                                    full relativistic
                                    
                                    Origin: PS Library
                                    Author: Andrea Dal Corso
                                    Generated using atomic code by A. Dal Corso  v.5.0.2 svn rev. 9415
                                    Uploaded by Erica Vidal
                                    Classification controlled by Andrea Dal Corso