 &control
    calculation='scf',
    restart_mode='from_scratch',
    prefix='LiCoO2'
    pseudo_dir = '/scratch/timrov/WORK_DFPT_plus_U/A_PORTING_2018/A_Gitlab/A_my_Gitlab_08.11.2018/q-e/pseudo/',
    outdir='/scratch/timrov/WORK_DFPT_plus_U/A_PORTING_2018/A_Gitlab/A_my_Gitlab_08.11.2018/q-e/tempdir/'
 /
 &system
    ibrav = 5, 
    celldm(1) = 9.3705,
    celldm(4) = 0.83874,
    nat = 4, 
    ntyp = 3,
    ecutwfc = 40.0
    ecutrho = 320.0
    lda_plus_u = .true.,
    lda_plus_u_kind = 0,
    U_projection_type = 'atomic',
    Hubbard_U(1) = 3.0
 /
 &electrons
    conv_thr =  1.d-13
    mixing_beta = 0.7
 /
ATOMIC_SPECIES
Co  58.933194  Co.pbesol-spn-rrkjus_psl.0.3.1.UPF 
O   15.999     O.pbesol-n-rrkjus_psl.0.1.UPF 
Li   6.94      Li.pbesol-s-rrkjus_psl.0.2.1.UPF
ATOMIC_POSITIONS {crystal}
 Co  0.0000000000   0.0000000000   0.0000000000
 O   0.2604885000   0.2604885000   0.2604885000
 O   0.7395115000   0.7395115000   0.7395115000
 Li  0.5000000000   0.5000000000   0.5000000000
K_POINTS {automatic}
 4 4 4 0 0 0
