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Pseudopotential File

Test files

Ti.blyp-sp-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  
    Ti.blyp-sp-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 
    Author: akohlmey
    Generated by Vanderbilt code version 7.3.4
    More Information: Ti.blyp-sp-van_ak.txt
    Uploaded by Erica Vidal
    Classification controlled by Paolo Giannozzi
      Ti.bp-sp-van_ak.UPF
       
      Pseudopotential type: ULTRASOFT
      Method: Vanderbilt ultrasoft
      Functional type: BP
      Semi-core state in valence
      scalar relativistic
      
      Origin: Original QE PP library 
      Author: akohlmey
      Generated by Vanderbilt code version 7.3.4
      More Information: Ti.bp-sp-van_ak.txt
      Uploaded by Erica Vidal
      Classification controlled by Paolo Giannozzi
        Ti.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: Ti.pbe-mt_fhi.txt
        Uploaded by Layla Martin-Samos
        Classification unverified  
          Ti.pbe-sp-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  
            Ti.pbe-sp-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 
            Author: akohlmey
            Generated by Vanderbilt code version 7.3.4
            More Information: Ti.pbe-sp-van_ak.txt
            Uploaded by Erica Vidal
            Classification controlled by Paolo Giannozzi
              Ti.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: Ti.pw-mt_fhi.txt
              Uploaded by Layla Martin-Samos
              Classification unverified  
                Ti.pw91-nsp-van.UPF
                 
                Pseudopotential type: ULTRASOFT
                Method: Vanderbilt ultrasoft
                Functional type: Perdew-Wang 91 gradient-corrected functional 
                Semi-core state in valence
                Nonlinear core correction
                scalar relativistic
                
                Origin: Original QE PP library 
                Generated by Vanderbilt code version 7.0.0
                More Information: Ti.pw91-nsp-van.txt
                Uploaded by Erica Vidal
                Classification controlled by Paolo Giannozzi
                  Ti.pw91-sp-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 
                  Author: akohlmey
                  Generated by Vanderbilt code version 7.3.4
                  More Information: Ti.pw91-sp-van_ak.txt
                  Uploaded by Erica Vidal
                  Classification controlled by Paolo Giannozzi
                    Ti.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  
                      Ti.pz-sp-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  
                        Ti.pz-sp-van.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 7.3.5
                        More Information: Ti.pz-sp-van.txt
                        Uploaded by Erica Vidal
                        Classification controlled by Paolo Giannozzi
                          Ti.pz-sp-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 
                          Author: akohlmey
                          Generated by Vanderbilt code version 7.3.4
                          More Information: Ti.pz-sp-van_ak.txt
                          Uploaded by Erica Vidal
                          Classification controlled by Paolo Giannozzi