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Pseudopotential File

Test files

O.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  
    O.blyp-mt.UPF
     
    Pseudopotential type: NORMCONS
    Method: Martins-Troullier
    Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr 
    scalar relativistic
    
    Origin: Original QE PP library 
    Author: P. Giannozzi  ,
    Generated by ld1 code (trou)
    More Information: O.blyp-mt.txt
    Uploaded by Layla Martin-Samos
    Classification controlled by Paolo Giannozzi
      O.blyp-van_ak.UPF
       
      Pseudopotential type: ULTRASOFT
      Method: Vanderbilt ultrasoft
      Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr 
      scalar relativistic
      
      Origin: Original QE PP library 
      Generated by Vanderbilt code version 7.3.4
      More Information: O.blyp-van_ak.txt
      Uploaded by Layla Martin-Samos
      Classification controlled by Paolo Giannozzi
        O.bp-van_ak.UPF
         
        Pseudopotential type: ULTRASOFT
        Method: Vanderbilt ultrasoft
        Functional type: BP
        scalar relativistic
        
        Origin: Original QE PP library 
        Generated by Vanderbilt code version 7.3.4
        More Information: O.bp-van_ak.txt
        Uploaded by Layla Martin-Samos
        Classification controlled by Paolo Giannozzi
          O.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  
            O.pbe-kjpaw.UPF
             
            Pseudopotential type: PAW
            Method: Projector Augmented-Wave (Kresse-Joubert paper)
            Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
            scalar relativistic
            
            Origin: Original QE PP library 
            Author: "Lorenzo Paulatto" /paulatto@sissa.it/
            Generated by "atomic" code by A. Dal Corso (QE distribution)
            Uploaded by Layla Martin-Samos
            Classification controlled by Paolo Giannozzi
              O.pbe-mt.UPF
               
              Pseudopotential type: NORMCONS
              Method: Martins-Troullier
              Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
              scalar relativistic
              
              Origin: Original QE PP library 
              Author: Converted from Abinit PP tables by P. Giannozzi
              Generated by Fritz-Haber code data in Abinit PP tables
              More Information: O.pbe-mt.txt
              Uploaded by Layla Martin-Samos
              Classification controlled by Paolo Giannozzi
                O.pbe-mt_fhi.UPF
                 
                Pseudopotential type: NORMCONS
                Method: Martins-Troullier
                Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                scalar relativistic
                
                Origin: FHI PP from Abinit web site 
                Author: unknown  
                  Generated using FHI98PP- converted with fhi2upf.x v.5.0.2
                Input File: O.pbe-mt_fhi.txt
                Uploaded by Layla Martin-Samos
                Classification unverified  
                  O.pbe-n-kjpaw_psl.0.1.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: Lorenzo Paulatto - modified by  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
                    O.pbe-n-rrkjus_psl.0.1.UPF
                     
                    Pseudopotential type: ULTRASOFT
                    Method: Rappe Rabe Kaxiras Joannopoulos
                    Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                    Nonlinear core correction
                    scalar relativistic
                    
                    Origin: PS Library
                    Author: Lorenzo Paulatto - modified by  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
                      O.pbe-rrkjus.UPF
                       
                      Pseudopotential type: ULTRASOFT
                      Method: Rappe Rabe Kaxiras Joannopoulos
                      Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                      scalar relativistic
                      
                      Origin: Original QE PP library 
                      Author: Andrea Dal Corso
                      Generated by Andrea Dal Corso code (rrkj3)
                      Uploaded by Layla Martin-Samos
                      Classification controlled by Paolo Giannozzi
                        O.pbe-van_ak.UPF
                         
                        Pseudopotential type: ULTRASOFT
                        Method: Vanderbilt ultrasoft
                        Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                        scalar relativistic
                        
                        Origin: Original QE PP library 
                        Generated by Vanderbilt code version 7.3.4
                        More Information: O.pbe-van_ak.txt
                        Uploaded by Layla Martin-Samos
                        Classification controlled by Paolo Giannozzi
                          O.pbe-van_bm.UPF
                           
                          Pseudopotential type: ULTRASOFT
                          Method: Vanderbilt ultrasoft
                          Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                          scalar relativistic
                          
                          Origin: Original QE PP library 
                          Author: Bernd Meyer
                          Generated by Vanderbilt code version 7.3.4
                          More Information: O.pbe-van_bm.txt
                          Uploaded by Layla Martin-Samos
                          Classification controlled by Paolo Giannozzi
                            O.pbe-van_gipaw.UPF
                             
                            Pseudopotential type: ULTRASOFT
                            Method: Rappe Rabe Kaxiras Joannopoulos
                            Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                            Is Gipaw
                            scalar relativistic
                            
                            Origin: Original QE PP library 
                            Generated by "atomic" code by A. Dal Corso (QE distribution)
                            More Information: O.pbe-van_gipaw.txt
                            Uploaded by Layla Martin-Samos
                            Classification controlled by Paolo Giannozzi
                              O.pbesol-n-kjpaw_psl.0.1.UPF
                               
                              Pseudopotential type: PAW
                              Method: Projector Augmented-Wave (Kresse-Joubert paper)
                              Functional type: PBESOL
                              Nonlinear core correction
                              scalar relativistic
                              
                              Origin: PS Library
                              Author: Lorenzo Paulatto - modified by  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
                                O.pbesol-n-rrkjus_psl.0.1.UPF
                                 
                                Pseudopotential type: ULTRASOFT
                                Method: Rappe Rabe Kaxiras Joannopoulos
                                Functional type: PBESOL
                                Nonlinear core correction
                                scalar relativistic
                                
                                Origin: PS Library
                                Author: Lorenzo Paulatto - modified by  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
                                  O.pw-mt_fhi.UPF
                                   
                                  Pseudopotential type: NORMCONS
                                  Method: Martins-Troullier
                                  Functional type: Perdew-Wang LDA
                                  scalar relativistic
                                  
                                  Origin: FHI PP from Abinit web site 
                                  Author: unknown  
                                    Generated using FHI98PP- converted with fhi2upf.x v.5.0.1
                                  Input File: O.pw-mt_fhi.txt
                                  Uploaded by Layla Martin-Samos
                                  Classification unverified  
                                    O.pw91-van_ak.UPF
                                     
                                    Pseudopotential type: ULTRASOFT
                                    Method: Vanderbilt ultrasoft
                                    Functional type: Perdew-Wang 91 gradient-corrected functional 
                                    scalar relativistic
                                    
                                    Origin: Original QE PP library 
                                    Generated by Vanderbilt code version 7.3.4
                                    More Information: O.pw91-van_ak.txt
                                    Uploaded by Layla Martin-Samos
                                    Classification controlled by Paolo Giannozzi
                                      O.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  
                                        O.pz-kjpaw.UPF
                                         
                                        Pseudopotential type: PAW
                                        Method: Projector Augmented-Wave (Kresse-Joubert paper)
                                        Functional type: Perdew-Zunger (LDA) exch-corr
                                        scalar relativistic
                                        
                                        Origin: Original QE PP library 
                                        Author: "Lorenzo Paulatto" /paulatto@sissa.it/
                                        Generated by "atomic" code by A. Dal Corso (QE distribution)
                                        Uploaded by Layla Martin-Samos
                                        Classification controlled by Paolo Giannozzi
                                          O.pz-mt.UPF
                                           
                                          Pseudopotential type: NORMCONS
                                          Method: Martins-Troullier
                                          Functional type: Perdew-Zunger (LDA) exch-corr
                                          scalar relativistic
                                          
                                          Origin: Original QE PP library 
                                          Author: Renata Wentzcovitch  ,
                                          Generated by JLMartins'code
                                          More Information: O.pz-mt.txt
                                          Uploaded by Paolo Giannozzi
                                          Classification controlled by Paolo Giannozzi
                                            O.pz-n-kjpaw_psl.0.1.UPF
                                             
                                            Pseudopotential type: PAW
                                            Method: Projector Augmented-Wave (Kresse-Joubert paper)
                                            Functional type: Perdew-Zunger (LDA) exch-corr
                                            Nonlinear core correction
                                            scalar relativistic
                                            
                                            Origin: PS Library
                                            Author: Lorenzo Paulatto - modified by  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
                                              O.pz-n-rrkjus_psl.0.1.UPF
                                               
                                              Pseudopotential type: ULTRASOFT
                                              Method: Rappe Rabe Kaxiras Joannopoulos
                                              Functional type: Perdew-Zunger (LDA) exch-corr
                                              Nonlinear core correction
                                              scalar relativistic
                                              
                                              Origin: PS Library
                                              Author: Lorenzo Paulatto - modified by  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
                                                O.pz-rrkjus.UPF
                                                 
                                                Pseudopotential type: ULTRASOFT
                                                Method: Rappe Rabe Kaxiras Joannopoulos
                                                Functional type: Perdew-Zunger (LDA) exch-corr
                                                scalar relativistic
                                                
                                                Origin: Original QE PP library 
                                                Author: Andrea Dal Corso
                                                Generated by Andrea Dal Corso code (rrkj3)
                                                Uploaded by Layla Martin-Samos
                                                Classification controlled by Paolo Giannozzi
                                                  O.pz-van_ak.UPF
                                                   
                                                  Pseudopotential type: ULTRASOFT
                                                  Method: Vanderbilt ultrasoft
                                                  Functional type: Perdew-Zunger (LDA) exch-corr
                                                  scalar relativistic
                                                  
                                                  Origin: Original QE PP library 
                                                  Generated by Vanderbilt code version 7.3.4
                                                  More Information: O.pz-van_ak.txt
                                                  Uploaded by Layla Martin-Samos
                                                  Classification controlled by Paolo Giannozzi
                                                    O.rel-pbe-n-kjpaw_psl.0.1.UPF
                                                     
                                                    Pseudopotential type: PAW
                                                    Method: Projector Augmented-Wave (Kresse-Joubert paper)
                                                    Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                                                    Nonlinear core correction
                                                    full relativistic
                                                    
                                                    Origin: PS Library
                                                    Author: Lorenzo Paulatto - modified by  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
                                                      O.rel-pbe-n-rrkjus_psl.0.1.UPF
                                                       
                                                      Pseudopotential type: ULTRASOFT
                                                      Method: Rappe Rabe Kaxiras Joannopoulos
                                                      Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                                                      Nonlinear core correction
                                                      full relativistic
                                                      
                                                      Origin: PS Library
                                                      Author: Lorenzo Paulatto - modified by  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
                                                        O.rel-pbesol-n-kjpaw_psl.0.1.UPF
                                                         
                                                        Pseudopotential type: PAW
                                                        Method: Projector Augmented-Wave (Kresse-Joubert paper)
                                                        Functional type: PBESOL
                                                        Nonlinear core correction
                                                        full relativistic
                                                        
                                                        Origin: PS Library
                                                        Author: Lorenzo Paulatto - modified by  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
                                                          O.rel-pbesol-n-rrkjus_psl.0.1.UPF
                                                           
                                                          Pseudopotential type: ULTRASOFT
                                                          Method: Rappe Rabe Kaxiras Joannopoulos
                                                          Functional type: PBESOL
                                                          Nonlinear core correction
                                                          full relativistic
                                                          
                                                          Origin: PS Library
                                                          Author: Lorenzo Paulatto - modified by  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
                                                            O.rel-pz-n-kjpaw_psl.0.1.UPF
                                                             
                                                            Pseudopotential type: PAW
                                                            Method: Projector Augmented-Wave (Kresse-Joubert paper)
                                                            Functional type: Perdew-Zunger (LDA) exch-corr
                                                            Nonlinear core correction
                                                            full relativistic
                                                            
                                                            Origin: PS Library
                                                            Author: Lorenzo Paulatto - modified by  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
                                                              O.rel-pz-n-rrkjus_psl.0.1.UPF
                                                               
                                                              Pseudopotential type: ULTRASOFT
                                                              Method: Rappe Rabe Kaxiras Joannopoulos
                                                              Functional type: Perdew-Zunger (LDA) exch-corr
                                                              Nonlinear core correction
                                                              full relativistic
                                                              
                                                              Origin: PS Library
                                                              Author: Lorenzo Paulatto - modified by  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
                                                                O.rel-pz-rrkjus.UPF
                                                                 
                                                                Pseudopotential type: ULTRASOFT
                                                                Method: Rappe Rabe Kaxiras Joannopoulos
                                                                Functional type: Perdew-Zunger (LDA) exch-corr
                                                                scalar relativistic
                                                                
                                                                Origin: Original QE PP library 
                                                                Generated by "atomic" code by A. Dal Corso (QE distribution)
                                                                Uploaded by Layla Martin-Samos
                                                                Classification controlled by Paolo Giannozzi
                                                                  O.star1s-pbe-van_gipaw.UPF
                                                                   
                                                                  Pseudopotential type: ULTRASOFT
                                                                  Method: Rappe Rabe Kaxiras Joannopoulos
                                                                  Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                                                                  Is Gipaw
                                                                  scalar relativistic
                                                                  
                                                                  Origin: Original QE PP library 
                                                                  Author: Matteo Calandra
                                                                  Generated by "atomic" code by A. Dal Corso (QE distribution)
                                                                  More Information: O.star1s-pbe-van_gipaw.txt
                                                                  Uploaded by Layla Martin-Samos
                                                                  Classification controlled by Paolo Giannozzi
                                                                    O.tpss-mt.UPF
                                                                     
                                                                    Pseudopotential type: NORMCONS
                                                                    Method: Martins-Troullier
                                                                    Functional type: Tao-Perdew-Staroverov-Scuseria (TPSS) meta-GGA
                                                                    scalar relativistic
                                                                    
                                                                    Origin: Original QE PP library 
                                                                    Author: Xiaofei Wang/Carlo Sbraccia
                                                                    Generated by modified version of ld1 code for metaGGA
                                                                    Uploaded by Layla Martin-Samos
                                                                    Classification controlled by Paolo Giannozzi