Pseudo search results

Pseudopotential File

Test files

Si.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  
    Si.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  
      Si.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: Si.pbe-mt_fhi.txt
      Uploaded by Layla Martin-Samos
      Classification unverified  
        Si.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: Si.pbe-mt_gipaw.txt
        Uploaded by Erica Vidal
        Classification controlled by Paolo Giannozzi
          Si.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
            Si.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
              Si.pbe-n-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 
              Generated by Vanderbilt code version 7.3.5
              More Information: Si.pbe-n-van.txt
              Uploaded by Erica Vidal
              Classification controlled by Paolo Giannozzi
                Si.pbe-rrkj.UPF
                 
                Pseudopotential type: NORMCONS
                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
                  Si.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)
                  Uploaded by Erica Vidal
                  Classification controlled by Paolo Giannozzi
                    Si.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
                      Si.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
                        Si.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: Si.pw-mt_fhi.txt
                        Uploaded by Layla Martin-Samos
                        Classification unverified  
                          Si.pw91-n-van.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 7.3.5
                          More Information: Si.pw91-n-van.txt
                          Uploaded by Erica Vidal
                          Classification controlled by Paolo Giannozzi
                            Si.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  
                              Si.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
                                Si.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
                                  Si.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: von Barth and Car
                                  Generated by 
                                  Uploaded by Erica Vidal
                                  Classification controlled by Paolo Giannozzi
                                    Si.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
                                      Si.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
                                        Si.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
                                          Si.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
                                            Si.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
                                              Si.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
                                                Si.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 
                                                Author: Matteo Calandra  ,
                                                Generated by "atomic" code by A. Dal Corso (QE distribution)
                                                More Information: Si.star1s-pbe-mt_gipaw.txt
                                                Uploaded by Erica Vidal
                                                Classification controlled by Paolo Giannozzi
                                                  Si.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 
                                                  Generated by "atomic" code by A. Dal Corso (QE distribution)
                                                  Uploaded by Erica Vidal
                                                  Classification controlled by Paolo Giannozzi
                                                    Si.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