&control
!   calculation     = 'relax'         
    calculation     = 'scf'         
    restart_mode    = 'from_scratch' 
    prefix          = 'diamond'         
    pseudo_dir      = './' 
    outdir          = '/Users/faerie/programs/espresso_test/data'     
    tprnfor         = .true.         
    tstress         = .true.        
    forc_conv_thr   = 3.89105e-06     
    etot_conv_thr    = 3.89105e-10
    verbosity       = 'high'
 /
 &system    
    ibrav           = 2                                            
    celldm(1)       = 6.665323374308377
    nat             = 2
    ntyp            = 1
    ecutwfc         = 80
    ecutrho         = 1000
!    occupations     = 'smearing'     
!    smearing        = 'mp'           
!    degauss         = 0.02           
 /
 &electrons
    diagonalization = 'cg'           
    mixing_beta     = 0.7           
    conv_thr        = 1.0d-10        
 /
 &ions
 pot_extrapolation = "second_order"
 wfc_extrapolation = "second_order"
 /
ATOMIC_SPECIES
  C  12.01078  C.pz-kjpaw.UPF
ATOMIC_POSITIONS (crystal)
C 0 0 0 
C 0.25 0.25 0.25
K_POINTS automatic
32 32 32 0 0 0