 &control
    calculation='scf',
    restart_mode='from_scratch',
    pseudo_dir = './',
    outdir='./',
    prefix='CO2',
    verbosity = 'high',
    wf_collect=.true.,
 &end
 &system
    ibrav = 6 ,
    celldm(1)=18.89716,
     celldm(3)=2,
     nat = 3 ,
    ntyp = 3 ,
    nosym = .true.,    
    nspin=1,
    ecutwfc = 52.0,
    ecutrho = 600.0,
    smearing='mp',
    occupations='smearing',
    degauss=0.003,
 &end
 &electrons
    diagonalization='david',
    conv_thr = 1.d-9,
    mixing_mode = 'plain',
    mixing_beta = 0.3,
 &end
ATOMIC_SPECIES
Oh   15.9994  O.star1s-pbe-van_gipaw.UPF
C   12.086   C.pbe-van_bm.UPF 
O  15.9994   O.pbe-van_gipaw.UPF
ATOMIC_POSITIONS crystal
Oh 0.000000000    0.000000         0.11725
C  0.000000000    0.000000         0.058625
O  0.00000000     0.0000000         0.00000000
K_POINTS gamma
