 &CONTROL
   title           = '# SFE Calculation HEAs' 
   calculation     = 'scf' 
   restart_mode    = 'from_scratch' 
   wf_collect      = .true. 
   pseudo_dir      = '.' 
 /
 &SYSTEM
   ibrav           = 0
   nat             = 36
   ntyp            = 5
   ecutwfc         = 10.0 
   ecutrho         = 40.0 
   input_dft       = 'PBE' 
   occupations     = 'smearing' 
   degauss         = 1.0d-4 
   smearing        = 'methfessel-paxton'
 /
 &ELECTRONS
   electron_maxstep = 100
   conv_thr        = 1.0d-5 
   mixing_mode     = 'plain' 
   mixing_beta     = 0.3d0 
 /
CELL_PARAMETERS angstrom 
     8.805915630    0.000000000    0.000000000 
     0.000000000   18.680167960    0.000000000 
     0.000000000    0.000000000    2.542048880 
ATOMIC_SPECIES
   Cr   51.99600  Cr.pbesol-spn-kjpaw_psl.1.0.0.UPF 
   Co   58.93300  Co.pbesol-spn-kjpaw_psl.0.3.1.UPF 
   Fe   55.84500  Fe.pbesol-spn-kjpaw_psl.1.0.0.UPF 
   Mn   54.93800  Mn.pbesol-spn-kjpaw_psl.0.3.1.UPF 
   Ni   58.69300  Ni.pbesol-spn-kjpaw_psl.1.0.0.UPF 
ATOMIC_POSITIONS angstrom 
   Cr      0.000000000    0.000000000    0.000000000    
   Cr      2.935305180    4.151148390    0.000000000    
   Co      1.467652630    2.075574200    0.000000000    
   Fe      3.669131540    2.075574200    1.271024440    
   Mn      0.733826270    4.151148390    1.271024440    
   Ni      2.201478910    0.000000000    1.271024440    
   Mn      4.402957810    0.000000000    0.000000000    
   Mn      7.338263000    4.151148390    0.000000000    
   Ni      5.870610450    2.075574200    0.000000000    
   Co      8.072089360    2.075574200    1.271024440    
   Mn      5.136784090    4.151148390    1.271024440    
   Co      6.604436720    0.000000000    1.271024440    
   Cr      0.000000000    6.226722590    0.000000000    
   Co      2.935305180   10.377871170    0.000000000    
   Ni      1.467652630    8.302296790    0.000000000    
   Cr      3.669131540    8.302296790    1.271024440    
   Cr      0.733826270   10.377871170    1.271024440    
   Co      2.201478910    6.226722590    1.271024440    
   Fe      4.402957810    6.226722590    0.000000000    
   Cr      7.338263000   10.377871170    0.000000000    
   Ni      5.870610450    8.302296790    0.000000000    
   Co      8.072089360    8.302296790    1.271024440    
   Mn      5.136784090   10.377871170    1.271024440    
   Ni      6.604436720    6.226722590    1.271024440    
   Cr      0.000000000   12.453445370    0.000000000    
   Fe      2.935305180   16.604593760    0.000000000    
   Ni      1.467652630   14.529019570    0.000000000    
   Mn      3.669131540   14.529019570    1.271024440    
   Ni      0.733826270   16.604593760    1.271024440    
   Co      2.201478910   12.453445370    1.271024440    
   Fe      4.402957810   12.453445370    0.000000000    
   Mn      7.338263000   16.604593760    0.000000000    
   Fe      5.870610450   14.529019570    0.000000000    
   Fe      8.072089360   14.529019570    1.271024440    
   Ni      5.136784090   16.604593760    1.271024440    
   Fe      6.604436720   12.453445370    1.271024440    
K_POINTS automatic 
  5 10 2   0 0 0 

