&control
    calculation  = 'scf'
    pseudo_dir = '/scratch/mladenov/PPQE/'
 /
 &system
    ibrav=0
    nat=218
    ntyp=6
    nbnd=1300
    ecutwfc=60.
!   occupations  = 'smearing'
!   degauss = 0.01
    ecutrho=420.
!   nspin = 1
    noncolin=true
    lspinorb=true
 /
 &electrons
     conv_thr = 1e-8,
   ! diagonalization = 'cg',
   ! mixing_beta= 0.3
   ! mixing_mode = 'local-TF'
 /
  &ions
   ion_dynamics = 'bfgs'
 /
 
 &cell
  cell_dynamics = 'bfgs'
 /

ATOMIC_SPECIES

CELL_PARAMETERS (angstrom)

ATOMIC_POSITIONS (angstrom)

K_POINTS {automatic}
2 2 1  0 0 0
