Pseudo search results

Pseudopotential File

Test files

N.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  
    N.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: N.blyp-mt.txt
    Uploaded by Layla Martin-Samos
    Classification controlled by Paolo Giannozzi
      N.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: N.blyp-van_ak.txt
      Uploaded by Layla Martin-Samos
      Classification controlled by Paolo Giannozzi
        N.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: N.bp-van_ak.txt
        Uploaded by Layla Martin-Samos
        Classification controlled by Paolo Giannozzi
          N.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  
            N.pbe-kjpaw.UPF
             
            Pseudopotential type: PAW
            Method: Projector Augmented-Wave (Kresse-Joubert paper)
            Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
            scalar relativistic
            
            Origin: Original QE PP library 
            Author: "Lorenzo Paulatto" /paulatto@sissa.it/
            Generated by "atomic" code by A. Dal Corso (QE distribution)
            Uploaded by Layla Martin-Samos
            Classification controlled by Paolo Giannozzi
              N.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: N.pbe-mt_fhi.txt
              Uploaded by Layla Martin-Samos
              Classification unverified  
                N.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: Lorenzo Paulatto - modified by  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
                  N.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: Lorenzo Paulatto - modified by  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
                    N.pbe-rrkjus.UPF
                     
                    Pseudopotential type: ULTRASOFT
                    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 Layla Martin-Samos
                    Classification controlled by Paolo Giannozzi
                      N.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: N.pbe-van_ak.txt
                      Uploaded by Layla Martin-Samos
                      Classification controlled by Paolo Giannozzi
                        N.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: N.pbe-van_bm.txt
                        Uploaded by Layla Martin-Samos
                        Classification controlled by Paolo Giannozzi
                          N.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: Lorenzo Paulatto - modified by  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
                            N.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: Lorenzo Paulatto - modified by  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
                              N.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: N.pw-mt_fhi.txt
                              Uploaded by Layla Martin-Samos
                              Classification unverified  
                                N.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: N.pw91-van_ak.txt
                                Uploaded by Layla Martin-Samos
                                Classification controlled by Paolo Giannozzi
                                  N.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  
                                    N.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: Lorenzo Paulatto - modified by  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
                                      N.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: Lorenzo Paulatto - modified by  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
                                        N.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 Layla Martin-Samos
                                        Classification controlled by Paolo Giannozzi
                                          N.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: N.pz-van_ak.txt
                                          Uploaded by Layla Martin-Samos
                                          Classification controlled by Paolo Giannozzi
                                            N.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: P. Giannozzi
                                            Generated by ld1 code
                                            More Information: N.pz-vbc.txt
                                            Uploaded by Layla Martin-Samos
                                            Classification controlled by Paolo Giannozzi
                                              N.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: Lorenzo Paulatto - modified by  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
                                                N.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: Lorenzo Paulatto - modified by  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
                                                  N.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: Lorenzo Paulatto - modified by  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
                                                    N.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: Lorenzo Paulatto - modified by  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
                                                      N.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: Lorenzo Paulatto - modified by  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
                                                        N.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: Lorenzo Paulatto - modified by  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
                                                          N.star1s-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: G. Mattioli
                                                          Generated by "atomic" code by A. Dal Corso (QE distribution)
                                                          More Information: N.star1s-blyp-mt.txt
                                                          Uploaded by Layla Martin-Samos
                                                          Classification controlled by Paolo Giannozzi
                                                            N.star1s-pbe-rrkjus.UPF
                                                             
                                                            Pseudopotential type: ULTRASOFT
                                                            Method: Rappe Rabe Kaxiras Joannopoulos
                                                            Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                                                            scalar relativistic
                                                            
                                                            Origin: Original QE PP library 
                                                            Author: G. Mattioli
                                                            Generated by "atomic" code by A. Dal Corso (QE distribution)
                                                            Input File: N.star1s-pbe-rrkjus.in
                                                            Uploaded by Layla Martin-Samos
                                                            Classification controlled by Paolo Giannozzi
                                                              N.star1s-pbe-van.UPF
                                                               
                                                              Pseudopotential type: ULTRASOFT
                                                              Method: Vanderbilt ultrasoft
                                                              Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                                                              scalar relativistic
                                                              
                                                              Origin: Original QE PP library 
                                                              Author: G. Mattioli
                                                              Generated by Vanderbilt code version 7.3.5
                                                              More Information: N.star1s-pbe-van.txt
                                                              Uploaded by Layla Martin-Samos
                                                              Classification controlled by Paolo Giannozzi