&control
    calculation = 'scf'
    restart_mode='from_scratch',
    prefix='fluorite',
    tstress = .true.
    tprnfor = .true.
    pseudo_dir = '/home/meghdad/mohaddeseh/Titania/pseudo',
    outdir='/home/meghdad/mohaddeseh/Titania/fluorite/LDA/tmp'
 /
 &system
    ibrav=  0, celldm(1) =8.9340, 
    nat=  3, ntyp= 2, ecutwfc =50, ecutrho=1400.0,nbnd=16,
 /
 &electrons
    diagonalization='cg'
    mixing_mode = 'plain'
    mixing_beta = 0.7
    conv_thr =  1.0d-8
 / 
 
ATOMIC_SPECIES
 Ti  47.867   Ti.pz-sp-van_ak.UPF
 O   15.9994  O.pz-van_ak.UPF  

CELL_PARAMETERS (alat)
  -0.500146684   0.000000000   0.500146684
   0.000000000   0.500146684   0.500146684
  -0.500146684   0.500146684   0.000000000
ATOMIC_POSITIONS (crystal)
Ti       0.000000000   0.000000000   0.000000000
O        0.250000000   0.250000000   0.250000000
O       -0.250000000  -0.250000000  -0.250000000
    
K_POINTS {automatic}
 8  8  8  1  1  1