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Pseudopotential File

Test files

Fe.blyp-sp-van.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: P. Giannozzi  ,
Generated by Vanderbilt code version 7.3.4
More Information: Fe.blyp-sp-van.txt
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi
    Fe.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 
Generated by Vanderbilt code version 7.3.4
More Information: Fe.blyp-sp-van_ak.txt
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi
      Fe.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 
Generated by Vanderbilt code version 7.3.4
More Information: Fe.bp-sp-van_ak.txt
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi
        Fe.pbe-nd-rrkjus.UPF 
         
Pseudopotential type: ULTRASOFT
Method: Rappe Rabe Kaxiras Joannopoulos
Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
Nonlinear core correction
scalar relativistic

Origin: Original QE PP library 
Author: Andrea Dal Corso
Generated by Andrea Dal Corso code (rrkj3)
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi
          Fe.pbe-sp-mt_gipaw.UPF 
           
Pseudopotential type: NORMCONS
Method: Martins-Troullier
Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
Semi-core state in valence
Is Gipaw
scalar relativistic

Origin: Original QE PP library 
Author: Matteo Calandra
Generated by "atomic" code by A. Dal Corso (QE distribution)
More Information: Fe.pbe-sp-mt_gipaw.txt
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi
            Fe.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
More Information: Fe.pbe-sp-van.txt
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi
              Fe.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 
Generated by Vanderbilt code version 7.3.4
More Information: Fe.pbe-sp-van_ak.txt
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi
                Fe.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 
Author: Hoi-Land Sit & Nicola Marzari
Generated by Vanderbilt code version 7.3.4  
More Information: Fe.pbe-sp-van_mit.txt
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi
                  Fe.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 
Generated by Vanderbilt code version 7.3.4
More Information: Fe.pw91-sp-van_ak.txt
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi
                    Fe.pz-nd-rrkjus.UPF 
                     
Pseudopotential type: ULTRASOFT
Method: Rappe Rabe Kaxiras Joannopoulos
Functional type: Perdew-Zunger (LDA) exch-corr
Nonlinear core correction
scalar relativistic

Origin: Original QE PP library 
Author: Andrea Dal Corso
Generated by Andrea Dal Corso code (rrkj3)
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi
                      Fe.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 
Generated by Vanderbilt code version 7.3.4
More Information: Fe.pz-sp-van_ak.txt
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi
                        Fe.rel-pbe-kjpaw.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: Original QE PP library 
Author: Andrea Dal Corso 
Generated by "atomic" code by A. Dal Corso (QE distribution)
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi
                          Fe.star1s-pbe-sp-mt_gipaw.UPF 
                           
Pseudopotential type: NORMCONS
Method: Martins-Troullier
Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
Semi-core state in valence
Is Gipaw
scalar relativistic

Origin: Original QE PP library 
Author: Matteo Calandra
Generated by "atomic" code by A. Dal Corso (QE distribution)
More Information: Fe.star1s-pbe-sp-mt_gipaw.txt
Uploaded by Erica Vidal
Classification controlled by Paolo Giannozzi