&CONTROL
    calculation   = 'relax',
    restart_mode  = 'from_scratch',
    outdir        = '/gpfs/bg0/weshen/scratch',
    PSEUDO_DIR    = '/gpfs/bg0/jecruz/Calculations/pot',
    verbosity     = 'high',
    wf_collect    = .t.,
    tprnfor       = .t.,
 /
 &SYSTEM
    ibrav         =  0, 
    celldm(1)     =  6.95, 
    nat           =  50, 
    ntyp          =  3,
    ecutwfc       =  30.0d0, 
    ecutrho       =  240.0d0, 
    nbnd          =  280,
    occupations   =  'smearing', 
    degauss       =  0.01d0,
    smearing      =  'mp',
    nspin         =  2,
    starting_magnetization(3)= 0.01,
    lda_plus_u=.true.  Hubbard_U(3)=4.7,
 /
 &ELECTRONS
    conv_thr     =  1.0d-7,
    mixing_mode  =  'local-TF',
    Mixing_beta  =  0.3d0,  
    diagonalization = 'cg',
 /
&IONS
    upscale = 10.0d0,
/
ATOMIC_SPECIES
 Cu   63.55    Cu.pbe-d-rrkjus.UPF
 N    14.007   N.pbe-rrkjus.UPF
 Cr   51.9961   Cr.pbe-sp-van.UPF
ATOMIC_POSITIONS
Cr       0.000000000   0.500000000   1.617096688
N        0.000000000   0.033485921   1.300650745
Cu       0.000000000   0.500000000   0.914607895
Cu       0.479727120   0.010027013   1.092992642
Cu       0.509856763   0.500000000   0.484980501
Cu       0.000000000  -0.012344265   0.487240042
Cu       0.000000000   0.500000000   0.000000000 0 0 0 
Cu       0.500000000   0.000000000   0.000000000 0 0 0 
Cu       0.000000000  -0.012344265  -0.487240042
Cu       0.509856763   0.500000000  -0.484980501
Cu       0.479727120   0.010027013  -1.092992642
Cu       0.000000000   0.500000000  -0.914607895
N        0.000000000   0.033485921  -1.300650745
Cr       0.000000000   0.500000000  -1.617096688
N        1.000000000  -0.001185414   1.063756315
N        0.000000000   0.966514079   1.300650745
N        1.000000000   1.001185414   1.063756315
Cu       1.000000000   0.500000000   1.032716592
Cu       0.000000000   1.500000000   1.243320206
Cu       1.000000000   1.500000000   1.039776172
Cu       1.520272880   0.010027013   1.092992642
Cu       0.479727120   0.989972987   1.092992642
Cu       1.520272880   0.989972987   1.092992642
Cu       1.490143237   0.500000000   0.484980501
Cu       0.485098099   1.500000000   0.513535011
Cu       1.514901901   1.500000000   0.513535011
Cu       1.000000000  -0.010738356   0.508504602
Cu       0.000000000   1.012344265   0.487240042
Cu       1.000000000   1.010738356   0.508504602
Cu       1.000000000   0.500000000   0.000000000 0 0 0
Cu       0.000000000   1.500000000   0.000000000 0 0 0
Cu       1.000000000   1.500000000   0.000000000 0 0 0
Cu       1.500000000   0.000000000   0.000000000 0 0 0
Cu       0.500000000   1.000000000   0.000000000 0 0 0
Cu       1.500000000   1.000000000   0.000000000 0 0 0
Cu       1.000000000  -0.010738356  -0.508504602
Cu       0.000000000   1.012344265  -0.487240042
Cu       1.000000000   1.010738356  -0.508504602
Cu       1.490143237   0.500000000  -0.484980501
Cu       0.485098099   1.500000000  -0.513535011
Cu       1.514901901   1.500000000  -0.513535011
Cu       1.520272880   0.010027013  -1.092992642
Cu       0.479727120   0.989972987  -1.092992642
Cu       1.520272880   0.989972987  -1.092992642
Cu       1.000000000   0.500000000  -1.032716592
Cu       0.000000000   1.500000000  -1.243320206
Cu       1.000000000   1.500000000  -1.039776172
N        1.000000000  -0.001185414  -1.063756315
N        0.000000000   0.966514079  -1.300650745
N        1.000000000   1.001185414  -1.063756315
CELL_PARAMETERS
2.0 0.0 0.0
0.0 2.0 0.0
0.0 0.0 7.0
K_POINTS {automatic}
6 6 1 0 0 0