Pseudo search results

Pseudopotential File

Test files

Au.blyp-d-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  
    Au.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: Au.blyp-van_ak.txt
    Uploaded by Erica Vidal
    Classification controlled by Paolo Giannozzi
      Au.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: Au.bp-van_ak.txt
      Uploaded by Erica Vidal
      Classification controlled by Paolo Giannozzi
        Au.pbe-d-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  
          Au.pbe-dn-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
            Au.pbe-dn-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
              Au.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: Au.pbe-mt_fhi.txt
              Uploaded by Layla Martin-Samos
              Classification unverified  
                Au.pbe-nd-rrkjus.UPF
                 
                Pseudopotential type: ULTRASOFT
                Method: Rappe Rabe Kaxiras Joannopoulos
                Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                Nonlinear core correction
                scalar relativistic
                
                Origin: Original QE PP library 
                Author: Andrea Dal Corso
                Generated by "atomic" code by A. Dal Corso (QE distribution)
                Uploaded by Erica Vidal
                Classification controlled by Paolo Giannozzi
                  Au.pbe-nd-van.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 
                  Author: Paolo Giannozzi, using CAMPOS data
                  Generated by Vanderbilt code version 7.3.4
                  More Information: Au.pbe-nd-van.txt
                  Uploaded by Erica Vidal
                  Classification controlled by Paolo Giannozzi
                    Au.pbe-spd-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  
                      Au.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: Au.pbe-van_ak.txt
                      Uploaded by Erica Vidal
                      Classification controlled by Paolo Giannozzi
                        Au.pbesol-dn-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
                          Au.pbesol-dn-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
                            Au.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: Au.pw-mt_fhi.txt
                            Uploaded by Layla Martin-Samos
                            Classification unverified  
                              Au.pw91-d-van.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 6.0.0
                              Uploaded by Erica Vidal
                              Classification controlled by Paolo Giannozzi
                                Au.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: Au.pw91-van_ak.txt
                                Uploaded by Erica Vidal
                                Classification controlled by Paolo Giannozzi
                                  Au.pz-d-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  
                                    Au.pz-d-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 "atomic" code by A. Dal Corso (QE distribution)
                                    Uploaded by Erica Vidal
                                    Classification controlled by Paolo Giannozzi
                                      Au.pz-d-van.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 6.0.0
                                      Uploaded by Erica Vidal
                                      Classification controlled by Paolo Giannozzi
                                        Au.pz-dn-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
                                          Au.pz-dn-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
                                            Au.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  
                                              Au.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: Au.pz-van_ak.txt
                                              Uploaded by Erica Vidal
                                              Classification controlled by Paolo Giannozzi
                                                Au.rel-pbe-dn-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
                                                  Au.rel-pbe-dn-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
                                                    Au.rel-pbesol-dn-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
                                                      Au.rel-pbesol-dn-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
                                                        Au.rel-pz-dn-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
                                                          Au.rel-pz-dn-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
                                                            Au.rel-pz-kjpaw.UPF
                                                             
                                                            Pseudopotential type: PAW
                                                            Method: Projector Augmented-Wave (Kresse-Joubert paper)
                                                            Functional type: Perdew-Zunger (LDA) exch-corr
                                                            Nonlinear core correction
                                                            scalar relativistic
                                                            
                                                            Origin: Original QE PP library 
                                                            Author: Andrea Dal Corso 
                                                            Generated by "atomic" code by A. Dal Corso (QE distribution)
                                                            Uploaded by Erica Vidal
                                                            Classification controlled by Paolo Giannozzi
                                                              Au.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 
                                                              Author: Andrea Dal Corso
                                                              Generated by Andrea Dal Corso code (rrkj3)
                                                              Uploaded by Erica Vidal
                                                              Classification controlled by Paolo Giannozzi