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Pseudopotential File

Test files

Hg.pbe-d-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.5.0.2
Uploaded by qewpadmin
Classification unverified  
    Hg.pbe-dn-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
    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
      Hg.pbe-dn-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
      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
        Hg.pbe-mt_fhi.UPF
         
        Pseudopotential type: NORMCONS
        Method: Martins-Troullier
        Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
        Nonlinear core correction
        non relativistic
        
        Origin: FHI PP from Abinit web site 
        Author: unknown  
          Generated using FHI98PP- converted with fhi2upf.x v.5.0.2
        Input File: Hg.pbe-mt_fhi.txt
        Uploaded by Layla Martin-Samos
        Classification unverified  
          Hg.pbesol-dn-kjpaw_psl.0.2.2.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
            Hg.pbesol-dn-rrkjus_psl.0.2.2.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
              Hg.pw-mt_fhi.UPF
               
              Pseudopotential type: NORMCONS
              Method: Martins-Troullier
              Functional type: Perdew-Wang LDA
              Nonlinear core correction
              non relativistic
              
              Origin: FHI PP from Abinit web site 
              Author: unknown  
                Generated using FHI98PP- converted with fhi2upf.x v.5.0.1
              Input File: Hg.pw-mt_fhi.txt
              Uploaded by Layla Martin-Samos
              Classification unverified  
                Hg.pz-d-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  
                  Hg.pz-dn-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
                  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
                    Hg.pz-dn-rrkjus_psl.0.2.2.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
                      Hg.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  
                        Hg.rel-pbe-dn-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
                          Hg.rel-pbe-dn-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
                            Hg.rel-pbesol-dn-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
                              Hg.rel-pbesol-dn-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
                                Hg.rel-pz-dn-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
                                  Hg.rel-pz-dn-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