 &control
    calculation = 'relax'
    restart_mode='from_scratch',
    pseudo_dir = './',
    outdir='./tmp/',
 /
 &system
    ibrav= 6, celldm(1) = 7.19856, celldm(3) = 2.54638,
    nat= 12, ntyp= 2,
    ecutwfc =25.0,
    ecutrho =150.,
    occupations='smearing',degauss=0.01 ,
    nspin=1,
 /
 &electrons
    mixing_mode = 'plain'
    mixing_beta = 0.4
    conv_thr =  1.0d-9
 /
 &ions
 /
ATOMIC_SPECIES
 Ti   47.900    Ti12_pbe.van.UPF
 O    15.999    O_pbe.van.UPF
ATOMIC_POSITIONS {crystal}
Ti   0.0000  0.0000  0.0000
Ti   0.0000  0.5000  0.2500
Ti   0.5000  0.5000  0.5000
Ti   0.5000  1.0000  0.7500
 O   0.0000  0.0000  0.2066
 O   0.0000  0.0000 -0.2066
 O   0.0000  0.5000  0.4566
 O   0.0000  0.5000  0.0434
 O   0.5000  0.5000  0.7066
 O   0.5000  0.5000  0.2934
 O   0.5000  1.0000  0.9566
 O   0.5000  1.0000  0.5434
K_POINTS {automatic}
4, 4, 2, 1, 1, 1
