Pseudo search results

Pseudopotential File

Test files

Cl.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  
    Cl.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 
    More Information: Cl.blyp-mt.txt
    Uploaded by Erica Vidal
    Classification controlled by Paolo Giannozzi
      Cl.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  
        Cl.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: Cl.pbe-mt_fhi.txt
        Uploaded by Layla Martin-Samos
        Classification unverified  
          Cl.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
            Cl.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
              Cl.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 
              Author: P. Giannozzi, using CAMPOS data
              Generated by Vanderbilt code version 7.3.4
              More Information: Cl.pbe-n-van.txt
              Uploaded by Erica Vidal
              Classification controlled by Paolo Giannozzi
                Cl.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
                  Cl.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
                    Cl.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: Cl.pw-mt_fhi.txt
                    Uploaded by Layla Martin-Samos
                    Classification unverified  
                      Cl.pw91-mt.UPF
                       
                      Pseudopotential type: NORMCONS
                      Method: Martins-Troullier
                      Functional type: Perdew-Wang 91 gradient-corrected functional 
                      scalar relativistic
                      
                      Origin: Original QE PP library 
                      Author: P. Giannozzi  ,
                      Generated by ld1 code (trou)
                      More Information: Cl.pw91-mt.txt
                      Uploaded by Erica Vidal
                      Classification controlled by Paolo Giannozzi
                        Cl.pz-bhs.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: X. Gonze et al.
                        Generated by 
                        More Information: Cl.pz-bhs.txt
                        Uploaded by Erica Vidal
                        Classification controlled by Paolo Giannozzi
                          Cl.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  
                            Cl.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
                              Cl.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
                                Cl.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
                                  Cl.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
                                    Cl.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
                                      Cl.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
                                        Cl.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
                                          Cl.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