 &control
    calculation='scf'
    restart_mode='from_scratch',
    prefix='Ni2MnGa'
    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/'
    verbosity='high'
 /
 &system
    ibrav = 7,
    celldm(1) = 7.80,
    celldm(3) = 1.4142136,
    nat = 4, 
    ntyp = 3,
    ecutwfc = 50.0
    ecutrho = 400.0
    occupations ='smearing',
    smearing ='mv'
    degauss = 0.01,
    nspin = 2,
    starting_magnetization(1) = 0.5
    starting_magnetization(2) = 0.5
    lda_plus_u = .true.,
    lda_plus_u_kind = 0,
    U_projection_type = 'ortho-atomic',
    Hubbard_U(1) = 1.d-8
    Hubbard_U(2) = 1.d-8
 /
 &electrons
    conv_thr =  1.d-15
    mixing_beta = 0.7
 /
ATOMIC_SPECIES
 Mn  54.938  Mn.pbesol-spn-rrkjus_psl.0.3.1.UPF 
 Ni  58.693  Ni.pbesol-n-rrkjus_psl.0.1.UPF 
 Ga  69.723  Ga.pbesol-dn-rrkjus_psl.0.2.UPF 
ATOMIC_POSITIONS {crystal}
 Mn 0.0000000000   0.0000000000   0.0000000000
 Ni 0.5000000000   0.7500000000   0.2500000000 
 Ni 0.5000000000   0.2500000000   0.7500000000 
 Ga 0.0000000000   0.5000000000   0.5000000000
K_POINTS {automatic}
 4 4 4 0 0 0
