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Pseudopotential File

Test files

Mn.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  
    Mn.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: Mn.pbe-mt_fhi.txt
    Uploaded by Layla Martin-Samos
    Classification unverified  
      Mn.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  
        Mn.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 7.3.2
        Uploaded by Erica Vidal
        Classification controlled by Paolo Giannozzi
        Mn.pbe-sp-van_mit.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 
        Generated by Vanderbilt code version 7.3.6
        Uploaded by Erica Vidal
        Classification controlled by Paolo Giannozzi
        Mn.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: Mn.pw-mt_fhi.txt
        Uploaded by Layla Martin-Samos
        Classification unverified  
          Mn.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  
            Mn.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