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Pseudopotential File

Test files

C.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  
    C.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: C.blyp-mt.txt
    Uploaded by Erica Vidal
    Classification controlled by Paolo Giannozzi
      C.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: C.blyp-van_ak.txt
      Uploaded by Erica Vidal
      Classification controlled by Paolo Giannozzi
        C.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: C.bp-van_ak.txt
        Uploaded by Erica Vidal
        Classification controlled by Paolo Giannozzi
          C.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  
            C.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: C.pbe-mt_fhi.txt
            Uploaded by Layla Martin-Samos
            Classification unverified  
              C.pbe-mt_gipaw.UPF
               
              Pseudopotential type: NORMCONS
              Method: Martins-Troullier
              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: C.pbe-mt_gipaw.txt
              Uploaded by Erica Vidal
              Classification controlled by Paolo Giannozzi
                C.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
                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
                  C.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- exported as US
                  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
                    C.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 Erica Vidal
                    Classification controlled by Paolo Giannozzi
                    C.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: C.pbe-van_ak.txt
                    Uploaded by Erica Vidal
                    Classification controlled by Paolo Giannozzi
                      C.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: C.pbe-van_bm.txt
                      Uploaded by Erica Vidal
                      Classification controlled by Paolo Giannozzi
                        C.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
                        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
                          C.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- exported as US
                          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
                            C.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: C.pw-mt_fhi.txt
                            Uploaded by Layla Martin-Samos
                            Classification unverified  
                              C.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: C.pw91-van_ak.txt
                              Uploaded by Erica Vidal
                              Classification controlled by Paolo Giannozzi
                                C.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  
                                  C.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 Erica Vidal
                                  Classification controlled by Paolo Giannozzi
                                    C.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
                                    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
                                      C.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- exported as US
                                      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
                                        C.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 Erica Vidal
                                        Classification controlled by Paolo Giannozzi
                                        C.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: C.pz-van_ak.txt
                                        Uploaded by Erica Vidal
                                        Classification controlled by Paolo Giannozzi
                                          C.pz-vbc.UPF
                                           
                                          Pseudopotential type: NORMCONS
                                          Method: Von Barth-Car (direct fit)
                                          Functional type: Perdew-Zunger (LDA) exch-corr
                                          scalar relativistic
                                          
                                          Origin: Original QE PP library 
                                          Author: P. Giannozzi
                                          Generated by ld1 code
                                          More Information: C.pz-vbc.txt
                                          Uploaded by Erica Vidal
                                          Classification controlled by Paolo Giannozzi
                                            C.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
                                            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
                                              C.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- exported as US
                                              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
                                                C.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
                                                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
                                                  C.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- exported as US
                                                  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
                                                    C.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
                                                    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
                                                      C.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- exported as US
                                                      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
                                                        C.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 Erica Vidal
                                                        Classification controlled by Paolo Giannozzi
                                                          C.star1s-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: G. Mattioli
                                                          Generated by "atomic" code by A. Dal Corso (QE distribution)
                                                          Uploaded by Erica Vidal
                                                          Classification controlled by Paolo Giannozzi
                                                            C.star1s-pbe-mt_gipaw.UPF
                                                             
                                                            Pseudopotential type: NORMCONS
                                                            Method: Martins-Troullier
                                                            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: C.star1s-pbe-mt_gipaw.txt
                                                            Uploaded by Erica Vidal
                                                            Classification controlled by Paolo Giannozzi
                                                              C.star1s-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: Paolo Giannozzi
                                                              Generated by "atomic" code by A. Dal Corso (QE distribution)
                                                              Uploaded by Erica Vidal
                                                              Classification controlled by Paolo Giannozzi
                                                                C.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 Erica Vidal
                                                                Classification controlled by Paolo Giannozzi