Pseudo search results

Pseudopotential File

Test files

I.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  
    I.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  
      I.pbe-mt_bw.UPF
       
      Pseudopotential type: NORMCONS
      Method: Martins-Troullier
      Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
      scalar relativistic
      
      Origin: Original QE PP library 
      Author: Brandon Wood, MIT
      Generated by the fhi98pp code written by Martin Fuchs
      More Information: I.pbe-mt_bw.txt
      Uploaded by Erica Vidal
      Classification controlled by Paolo Giannozzi
        I.pbe-mt_fhi.UPF
         
        Pseudopotential type: NORMCONS
        Method: Martins-Troullier
        Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
        non relativistic
        
        Origin: FHI PP from Abinit web site 
        Author: unknown  
          Generated using FHI98PP- converted with fhi2upf.x v.5.0.2
        Input File: I.pbe-mt_fhi.txt
        Uploaded by Layla Martin-Samos
        Classification unverified  
          I.pbe-n-kjpaw_psl.0.2.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
            I.pbe-n-rrkjus_psl.0.2.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
              I.pbesol-n-kjpaw_psl.0.2.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
                I.pbesol-n-rrkjus_psl.0.2.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
                  I.pw-mt_fhi.UPF
                   
                  Pseudopotential type: NORMCONS
                  Method: Martins-Troullier
                  Functional type: Perdew-Wang LDA
                  non relativistic
                  
                  Origin: FHI PP from Abinit web site 
                  Author: unknown  
                    Generated using FHI98PP- converted with fhi2upf.x v.5.0.1
                  Input File: I.pw-mt_fhi.txt
                  Uploaded by Layla Martin-Samos
                  Classification unverified  
                    I.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  
                      I.pz-n-kjpaw_psl.0.2.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
                        I.pz-n-rrkjus_psl.0.2.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
                          I.rel-pbe-n-kjpaw_psl.0.2.2.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
                            I.rel-pbe-n-rrkjus_psl.0.2.2.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
                              I.rel-pbesol-n-kjpaw_psl.0.2.2.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
                                I.rel-pbesol-n-rrkjus_psl.0.2.2.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
                                  I.rel-pz-n-kjpaw_psl.0.2.2.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
                                    I.rel-pz-n-rrkjus_psl.0.2.2.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