Pseudo search results

Pseudopotential File

Test files

Li.blyp-s-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  
    Li.blyp-s-mt.UPF
     
    Pseudopotential type: NORMCONS
    Method: Martins-Troullier
    Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr 
    Semi-core state in valence
    scalar relativistic
    
    Origin: Original QE PP library 
    Author: Axel Kohlmeyer
    Generated by 
    Uploaded by Layla Martin-Samos
    Classification controlled by Paolo Giannozzi
      Li.blyp-s-van_ak.UPF
       
      Pseudopotential type: ULTRASOFT
      Method: Vanderbilt ultrasoft
      Functional type: Becke-Lee-Yang-Parr (BLYP) exch-corr 
      Semi-core state in valence
      scalar relativistic
      
      Origin: Original QE PP library 
      Generated by Vanderbilt code version 7.3.4
      More Information: Li.blyp-s-van_ak.txt
      Uploaded by Layla Martin-Samos
      Classification controlled by Paolo Giannozzi
        Li.bp-s-mt.UPF
         
        Pseudopotential type: NORMCONS
        Method: Martins-Troullier
        Functional type: BP
        Semi-core state in valence
        scalar relativistic
        
        Origin: Original QE PP library 
        Author: Axel Kohlmeyer
        Generated by 
        Uploaded by Layla Martin-Samos
        Classification controlled by Paolo Giannozzi
          Li.bp-s-van_ak.UPF
           
          Pseudopotential type: ULTRASOFT
          Method: Vanderbilt ultrasoft
          Functional type: BP
          Semi-core state in valence
          scalar relativistic
          
          Origin: Original QE PP library 
          Generated by Vanderbilt code version 7.3.4
          More Information: Li.bp-s-van_ak.txt
          Uploaded by Layla Martin-Samos
          Classification controlled by Paolo Giannozzi
            Li.pbe-mt_fhi.UPF
             
            Pseudopotential type: NORMCONS
            Method: Martins-Troullier
            Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
            Nonlinear core correction
            scalar relativistic
            
            Origin: FHI PP from Abinit web site 
            Author: unknown  
              Generated using FHI98PP- converted with fhi2upf.x v.5.0.2
            Input File: Li.pbe-mt_fhi.txt
            Uploaded by Layla Martin-Samos
            Classification unverified  
              Li.pbe-n-van.UPF
               
              Pseudopotential type: ULTRASOFT
              Method: Vanderbilt ultrasoft
              Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
              Semi-core state in valence
              Nonlinear core correction
              scalar relativistic
              
              Origin: Original QE PP library 
              Generated by Vanderbilt code version 7.3.5
              More Information: Li.pbe-n-van.txt
              Uploaded by Layla Martin-Samos
              Classification controlled by Paolo Giannozzi
                Li.pbe-s-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  
                  Li.pbe-s-kjpaw_psl.0.2.1.UPF
                   
                  Pseudopotential type: PAW
                  Method: Projector Augmented-Wave (Kresse-Joubert paper)
                  Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                  Semi-core state in valence
                  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
                    Li.pbe-s-mt.UPF
                     
                    Pseudopotential type: NORMCONS
                    Method: Martins-Troullier
                    Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                    Semi-core state in valence
                    scalar relativistic
                    
                    Origin: Original QE PP library 
                    Author: Axel Kohlmeyer
                    Generated by 
                    Uploaded by Layla Martin-Samos
                    Classification controlled by Paolo Giannozzi
                      Li.pbe-s-rrkjus_psl.0.2.1.UPF
                       
                      Pseudopotential type: ULTRASOFT
                      Method: Rappe Rabe Kaxiras Joannopoulos
                      Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                      Semi-core state in valence
                      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
                        Li.pbe-s-van_ak.UPF
                         
                        Pseudopotential type: ULTRASOFT
                        Method: Vanderbilt ultrasoft
                        Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                        Semi-core state in valence
                        scalar relativistic
                        
                        Origin: Original QE PP library 
                        Generated by Vanderbilt code version 7.3.4
                        More Information: Li.pbe-s-van_ak.txt
                        Uploaded by Layla Martin-Samos
                        Classification controlled by Paolo Giannozzi
                          Li.pbesol-s-kjpaw_psl.0.2.1.UPF
                           
                          Pseudopotential type: PAW
                          Method: Projector Augmented-Wave (Kresse-Joubert paper)
                          Functional type: PBESOL
                          Semi-core state in valence
                          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
                            Li.pbesol-s-rrkjus_psl.0.2.1.UPF
                             
                            Pseudopotential type: ULTRASOFT
                            Method: Rappe Rabe Kaxiras Joannopoulos
                            Functional type: PBESOL
                            Semi-core state in valence
                            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
                              Li.pw-mt_fhi.UPF
                               
                              Pseudopotential type: NORMCONS
                              Method: Martins-Troullier
                              Functional type: Perdew-Wang LDA
                              Nonlinear core correction
                              scalar relativistic
                              
                              Origin: FHI PP from Abinit web site 
                              Author: unknown  
                                Generated using FHI98PP- converted with fhi2upf.x v.5.0.1
                              Input File: Li.pw-mt_fhi.txt
                              Uploaded by Layla Martin-Samos
                              Classification unverified  
                                Li.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: Li.pw91-n-van.txt
                                Uploaded by Layla Martin-Samos
                                Classification controlled by Paolo Giannozzi
                                  Li.pw91-s-mt.UPF
                                   
                                  Pseudopotential type: NORMCONS
                                  Method: Martins-Troullier
                                  Functional type: Perdew-Wang 91 gradient-corrected functional 
                                  Semi-core state in valence
                                  scalar relativistic
                                  
                                  Origin: Original QE PP library 
                                  Author: Axel Kohlmeyer
                                  Generated by 
                                  Uploaded by Erica Vidal
                                  Classification controlled by Paolo Giannozzi
                                    Li.pw91-s-van_ak.UPF
                                     
                                    Pseudopotential type: ULTRASOFT
                                    Method: Vanderbilt ultrasoft
                                    Functional type: Perdew-Wang 91 gradient-corrected functional 
                                    Semi-core state in valence
                                    scalar relativistic
                                    
                                    Origin: Original QE PP library 
                                    Generated by Vanderbilt code version 7.3.4
                                    More Information: Li.pw91-s-van_ak.txt
                                    Uploaded by Layla Martin-Samos
                                    Classification controlled by Paolo Giannozzi
                                      Li.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  
                                        Li.pz-n-vbc.UPF
                                         
                                        Pseudopotential type: NORMCONS
                                        Method: Von Barth-Car (direct fit)
                                        Functional type: Perdew-Zunger (LDA) exch-corr
                                        Nonlinear core correction
                                        scalar relativistic
                                        
                                        Origin: Original QE PP library 
                                        Author: P. Giannozzi
                                        Generated by ld1 code
                                        Uploaded by Layla Martin-Samos
                                        Classification controlled by Paolo Giannozzi
                                          Li.pz-s-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  
                                            Li.pz-s-kjpaw_psl.0.2.1.UPF
                                             
                                            Pseudopotential type: PAW
                                            Method: Projector Augmented-Wave (Kresse-Joubert paper)
                                            Functional type: Perdew-Zunger (LDA) exch-corr
                                            Semi-core state in valence
                                            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
                                              Li.pz-s-mt.UPF
                                               
                                              Pseudopotential type: NORMCONS
                                              Method: Martins-Troullier
                                              Functional type: Perdew-Zunger (LDA) exch-corr
                                              Semi-core state in valence
                                              scalar relativistic
                                              
                                              Origin: Original QE PP library 
                                              Author: Axel Kohlmeyer
                                              Generated by 
                                              Uploaded by Erica Vidal
                                              Classification controlled by Paolo Giannozzi
                                                Li.pz-s-rrkjus_psl.0.2.1.UPF
                                                 
                                                Pseudopotential type: ULTRASOFT
                                                Method: Rappe Rabe Kaxiras Joannopoulos
                                                Functional type: Perdew-Zunger (LDA) exch-corr
                                                Semi-core state in valence
                                                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
                                                  Li.pz-s-van_ak.UPF
                                                   
                                                  Pseudopotential type: ULTRASOFT
                                                  Method: Vanderbilt ultrasoft
                                                  Functional type: Perdew-Zunger (LDA) exch-corr
                                                  Semi-core state in valence
                                                  scalar relativistic
                                                  
                                                  Origin: Original QE PP library 
                                                  Generated by Vanderbilt code version 7.3.4
                                                  More Information: Li.pz-s-van_ak.txt
                                                  Uploaded by Layla Martin-Samos
                                                  Classification controlled by Paolo Giannozzi
                                                    Li.rel-pbe-s-kjpaw_psl.0.2.1.UPF
                                                     
                                                    Pseudopotential type: PAW
                                                    Method: Projector Augmented-Wave (Kresse-Joubert paper)
                                                    Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                                                    Semi-core state in valence
                                                    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
                                                      Li.rel-pbe-s-rrkjus_psl.0.2.1.UPF
                                                       
                                                      Pseudopotential type: ULTRASOFT
                                                      Method: Rappe Rabe Kaxiras Joannopoulos
                                                      Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
                                                      Semi-core state in valence
                                                      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
                                                        Li.rel-pbesol-s-kjpaw_psl.0.2.1.UPF
                                                         
                                                        Pseudopotential type: PAW
                                                        Method: Projector Augmented-Wave (Kresse-Joubert paper)
                                                        Functional type: PBESOL
                                                        Semi-core state in valence
                                                        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
                                                          Li.rel-pbesol-s-rrkjus_psl.0.2.1.UPF
                                                           
                                                          Pseudopotential type: ULTRASOFT
                                                          Method: Rappe Rabe Kaxiras Joannopoulos
                                                          Functional type: PBESOL
                                                          Semi-core state in valence
                                                          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
                                                            Li.rel-pz-s-kjpaw_psl.0.2.1.UPF
                                                             
                                                            Pseudopotential type: PAW
                                                            Method: Projector Augmented-Wave (Kresse-Joubert paper)
                                                            Functional type: Perdew-Zunger (LDA) exch-corr
                                                            Semi-core state in valence
                                                            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
                                                              Li.rel-pz-s-rrkjus_psl.0.2.1.UPF
                                                               
                                                              Pseudopotential type: ULTRASOFT
                                                              Method: Rappe Rabe Kaxiras Joannopoulos
                                                              Functional type: Perdew-Zunger (LDA) exch-corr
                                                              Semi-core state in valence
                                                              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