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Pseudopotential File

Test files

Cr.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  
    Cr.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: Cr.pbe-mt_fhi.txt
    Uploaded by Layla Martin-Samos
    Classification unverified  
      Cr.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  
        Cr.pbe-sp-van.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: P. Giannozzi  ,
        Generated by Vanderbilt code version 7.3.4
        More Information: Cr.pbe-sp-van.txt
        Uploaded by Erica Vidal
        Classification controlled by Paolo Giannozzi
          Cr.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: Cr.pw-mt_fhi.txt
          Uploaded by Layla Martin-Samos
          Classification unverified  
            Cr.pw91-sp-van.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: P. Giannozzi
            Generated by Vanderbilt code version 7.3.2
            More Information: Cr.pw91-sp-van.txt
            Uploaded by Erica Vidal
            Classification controlled by Paolo Giannozzi
              Cr.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  
                Cr.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