Pseudo search results

Pseudopotential File

Test files

B.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  
    B.blyp-n-van_ak.UPF
     
    Pseudopotential type: ULTRASOFT
    Method: Vanderbilt ultrasoft
    Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr 
    Nonlinear core correction
    scalar relativistic
    
    Origin: Original QE PP library 
    Generated by Vanderbilt code version 7.3.4
    More Information: B.blyp-n-van_ak.txt
    Uploaded by Erica Vidal
    Classification controlled by Paolo Giannozzi
      B.bp-n-van_ak.UPF
       
      Pseudopotential type: ULTRASOFT
      Method: Vanderbilt ultrasoft
      Functional type: BP
      Nonlinear core correction
      scalar relativistic
      
      Origin: Original QE PP library 
      Generated by Vanderbilt code version 7.3.4
      More Information: B.bp-n-van_ak.txt
      Uploaded by Erica Vidal
      Classification controlled by Paolo Giannozzi
        B.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  
          B.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: B.pbe-mt_fhi.txt
          Uploaded by Layla Martin-Samos
          Classification unverified  
            B.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: 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
              B.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: 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
                B.pbe-n-van_ak.UPF
                 
                Pseudopotential type: ULTRASOFT
                Method: Vanderbilt ultrasoft
                Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                Nonlinear core correction
                scalar relativistic
                
                Origin: Original QE PP library 
                Generated by Vanderbilt code version 7.3.4
                More Information: B.pbe-n-van_ak.txt
                Uploaded by Erica Vidal
                Classification controlled by Paolo Giannozzi
                  B.pbesol-hgh.UPF
                   
                  Pseudopotential type: NORMCONS
                  Method: Goedecker-Hartwigsen-Hutter-Teter 
                  Functional type: PBESOL
                  scalar relativistic
                  
                  Origin: Hartwigsen-Goedeker-Hutter PP 
                  Author: Goedecker/Hartwigsen/Hutter/Teter
                  Generated in analytical, separable form, converted from CPMD format using cpmd2upf v.5.0.2
                  Uploaded by giannozz
                  Classification unverified  
                    B.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: 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
                      B.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: 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
                        B.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: B.pw-mt_fhi.txt
                        Uploaded by Layla Martin-Samos
                        Classification unverified  
                          B.pw91-n-van_ak.UPF
                           
                          Pseudopotential type: ULTRASOFT
                          Method: Vanderbilt ultrasoft
                          Functional type: Perdew-Wang 91 gradient-corrected functional 
                          Nonlinear core correction
                          scalar relativistic
                          
                          Origin: Original QE PP library 
                          Generated by Vanderbilt code version 7.3.4
                          More Information: B.pw91-n-van_ak.txt
                          Uploaded by Erica Vidal
                          Classification controlled by Paolo Giannozzi
                            B.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
                              B.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  
                                B.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: 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
                                  B.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: 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
                                    B.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
                                    Uploaded by Erica Vidal
                                    Classification controlled by Paolo Giannozzi
                                      B.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: 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
                                        B.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: 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
                                          B.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: 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
                                            B.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: 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
                                              B.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: 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
                                                B.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: 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