Pseudo search results

Pseudopotential File

Test files

S.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  
    S.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: S.blyp-mt.txt
    Uploaded by Erica Vidal
    Classification controlled by Paolo Giannozzi
      S.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: S.blyp-van_ak.txt
      Uploaded by Erica Vidal
      Classification controlled by Paolo Giannozzi
        S.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: S.bp-van_ak.txt
        Uploaded by Erica Vidal
        Classification controlled by Paolo Giannozzi
          S.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  
            S.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: S.pbe-mt_fhi.txt
            Uploaded by Layla Martin-Samos
            Classification unverified  
              S.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
                S.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
                  S.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: S.pbe-van_bm.txt
                  Uploaded by Erica Vidal
                  Classification controlled by Paolo Giannozzi
                    S.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
                      S.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
                        S.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: S.pw-mt_fhi.txt
                        Uploaded by Layla Martin-Samos
                        Classification unverified  
                          S.pw91-n-mt.UPF
                           
                          Pseudopotential type: NORMCONS
                          Method: Martins-Troullier
                          Functional type: Perdew-Wang 91 gradient-corrected functional 
                          Nonlinear core correction
                          scalar relativistic
                          
                          Origin: Original QE PP library 
                          Author: P. Giannozzi  ,
                          Generated by ld1 code (trou)
                          More Information: S.pw91-n-mt.txt
                          Uploaded by Erica Vidal
                          Classification controlled by Paolo Giannozzi
                            S.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: S.pw91-van_ak.txt
                            Uploaded by Erica Vidal
                            Classification controlled by Paolo Giannozzi
                              S.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: X. Gonze et al.
                              Generated by 
                              More Information: S.pz-bhs.txt
                              Uploaded by Erica Vidal
                              Classification controlled by Paolo Giannozzi
                                S.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  
                                  S.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
                                    S.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
                                      S.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: S.pz-van_ak.txt
                                      Uploaded by Erica Vidal
                                      Classification controlled by Paolo Giannozzi
                                        S.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
                                          S.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
                                            S.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
                                              S.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
                                                S.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
                                                  S.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