&CONTROL
    calculation   = "nscf"
    outdir        = "/media/sakib_05/G4M35/MaTerials/WS/My_Rig/Struct_III_50_/work/"
    prefix        = "Struct_III_50_3.30"
    pseudo_dir    = "/media/sakib_05/G4M35/MaTerials/UbuntuFiles/Pseudo/pseudoR"
    restart_mode  = "from_scratch"
    verbosity     = "high"
/

&SYSTEM
    ibrav       =  4
    a           =  10.89
    c           =  25
    nat         =  50
    ntyp        =  3
    input_dft   = 'PBE'
    ecutwfc     =  45
    ecutrho     =  250
    occupations = 'tetrahedra'
    vdw_corr	= 'DFT-D'
/

&ELECTRONS
    conv_thr         =  1.00000e-8
    mixing_beta      =  0.7
/

ATOMIC_SPECIES
C      12.011     C.pbe-mt_fhi.UPF
N      14.00674   N.pbe-mt_fhi.UPF
In     114.81800  In.pbe-d-mt_fhi.UPF

ATOMIC_POSITIONS (angstrom)
In    0.0000000000    0.0000000000    0.0000000000
N     0.0000000000    2.0957814770    0.0000000000
In   -1.8150000000    3.1436722160    0.0000000000
N    -1.8150000000    5.2394536930    0.0000000000
In   -3.6300000000    6.2873444320    0.0000000000
N    -3.6300000000    8.3831259090    0.0000000000
In    3.6300000000    0.0000000000    0.0000000000
N     3.6300000000    2.0957814770    0.0000000000
In    1.8150000000    3.1436722160    0.0000000000
N     1.8150000000    5.2394536930    0.0000000000
In    0.0000000000    6.2873444320    0.0000000000
N     0.0000000000    8.3831259090    0.0000000000
In    7.2600000000    0.0000000000    0.0000000000
N     7.2600000000    2.0957814770    0.0000000000
In    5.4450000000    3.1436722160    0.0000000000
N     5.4450000000    5.2394536930    0.0000000000
In    3.6300000000    6.2873444320    0.0000000000
N     3.6300000000    8.3831259090    0.0000000000
C     0.4537500000    0.2619726850    3.3000000000
C     0.4537500000    1.8338087930    3.3000000000
C    -0.9075000000    2.6197268470    3.3000000000
C    -0.9075000000    4.1915629550    3.3000000000
C    -2.2687500000    4.9774810090    3.3000000000
C    -2.2687500000    6.5493171170    3.3000000000
C    -3.6300000000    7.3352351710    3.3000000000
C    -3.6300000000    8.9070712790    3.3000000000
C     3.1762500000    0.2619726850    3.3000000000
C     3.1762500000    1.8338087930    3.3000000000
C     1.8150000000    2.6197268470    3.3000000000
C     1.8150000000    4.1915629550    3.3000000000
C     0.4537500000    4.9774810090    3.3000000000
C     0.4537500000    6.5493171170    3.3000000000
C    -0.9075000000    7.3352351710    3.3000000000
C    -0.9075000000    8.9070712790    3.3000000000
C     5.8987500000    0.2619726850    3.3000000000
C     5.8987500000    1.8338087930    3.3000000000
C     4.5375000000    2.6197268470    3.3000000000
C     4.5375000000    4.1915629550    3.3000000000
C     3.1762500000    4.9774810090    3.3000000000
C     3.1762500000    6.5493171170    3.3000000000
C     1.8150000000    7.3352351710    3.3000000000
C     1.8150000000    8.9070712790    3.3000000000
C     8.6212500000    0.2619726850    3.3000000000
C     8.6212500000    1.8338087930    3.3000000000
C     7.2600000000    2.6197268470    3.3000000000
C     7.2600000000    4.1915629550    3.3000000000
C     5.8987500000    4.9774810090    3.3000000000
C     5.8987500000    6.5493171170    3.3000000000
C     4.5375000000    7.3352351710    3.3000000000
C     4.5375000000    8.9070712790    3.3000000000

K_POINTS {automatic}
24  24  1  0 0 0