Pseudo search results

Pseudopotential File

Test files

Pd.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  
    Pd.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  
      Pd.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: Pd.pbe-mt_fhi.txt
      Uploaded by Layla Martin-Samos
      Classification unverified  
        Pd.pbe-n-kjpaw_psl.0.2.2.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
          Pd.pbe-n-rrkjus_psl.0.2.2.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
            Pd.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  
              Pd.pbesol-n-kjpaw_psl.0.2.2.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
                Pd.pbesol-n-rrkjus_psl.0.2.2.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
                  Pd.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: Pd.pw-mt_fhi.txt
                  Uploaded by Layla Martin-Samos
                  Classification unverified  
                    Pd.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  
                      Pd.pz-n-kjpaw_psl.0.2.2.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
                        Pd.pz-n-rrkjus_psl.0.2.2.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
                          Pd.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  
                            Pd.rel-pbe-n-kjpaw_psl.0.2.2.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
                              Pd.rel-pbe-n-rrkjus_psl.0.2.2.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
                                Pd.rel-pbesol-n-kjpaw_psl.0.2.2.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
                                  Pd.rel-pbesol-n-rrkjus_psl.0.2.2.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
                                    Pd.rel-pz-n-kjpaw_psl.0.2.2.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
                                      Pd.rel-pz-n-rrkjus_psl.0.2.2.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