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Pseudopotential File

Test files

Ca.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  
    Ca.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: Ca.pbe-mt_fhi.txt
    Uploaded by Layla Martin-Samos
    Classification unverified  
      Ca.pbe-nsp-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 
      Author: P. Giannozzi, using CAMPOS data  ,
      Generated by Vanderbilt code version 7.3.4
      More Information: Ca.pbe-nsp-van.txt
      Uploaded by Erica Vidal
      Classification controlled by Paolo Giannozzi
        Ca.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  
          Ca.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: Ca.pw-mt_fhi.txt
          Uploaded by Layla Martin-Samos
          Classification unverified  
            Ca.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 
            Author: CAMPOS  ,
            Generated by Vanderbilt code version 7.3.4
            More Information: Ca.pw91-nsp-van.txt
            Uploaded by Erica Vidal
            Classification controlled by Paolo Giannozzi
              Ca.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  
                Ca.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 Erica Vidal
                Classification controlled by Paolo Giannozzi
                  Ca.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