&control
    calculation  = 'scf'
    restart_mode = 'from_scratch'
    pseudo_dir    = '/home/s/schandratre/Espresso/pseudo'
    outdir        = '/home/s/schandratre/Espresso/BTetr'

 /
 &system
    
    ibrav = 0,
   celldm(3)=2
    
nat=96
ntyp=2
ecutwfc=35.0
ecutrho = 400.0
occupations = 'fixed'
degauss=0.00
 /
 &electrons
    conv_thr = 1.0d-6
    mixing_beta=0.01,
     /

ATOMIC_SPECIES
C 12.0107 C.pbe-van_bm.UPF
H 1.00794 H.pbe-van_ak.UPF

ATOMIC_POSITIONS {angstrom}
  C   5.000000  5.953494  2.841720
  C   5.000000  7.183995  3.552150
  C   5.000000  5.953494  1.420860
  C   5.000000  8.414496  2.841720
  C   5.000000  9.644997  3.552150
  C   5.000000  7.183995  0.710430
  C   5.000000  8.414496  1.420860
  C   5.000000  10.87550  2.841720
  C   5.000000  12.10600  3.552150
  C   5.000000  9.644997  0.710430
  C   5.000000  10.87550  1.420860
  C   5.000000  13.33650  2.841720
  C   5.000000  14.56700  3.552150
  C   5.000000  12.10600  0.710430
  C   5.000000  13.33650  1.420860
  C   5.000000  14.56700  0.710430
  H   5.000000  5.000000  3.392220
  H   5.000000  5.000000  0.870360
  H   5.000000  15.52049  3.001650
  H   5.000000  15.52049  1.260930
  C   5.000000  5.953494  7.104300
  C   5.000000  7.183995  7.814730
  C   5.000000  5.953494  5.683440
  C   5.000000  8.414496  7.104300
  C   5.000000  7.183995  4.973010
  C   5.000000  8.414496  5.683440
  C   5.000000  10.87550  7.104300
  C   5.000000  12.10600  7.814730
  C   5.000000  9.644997  4.973010
  C   5.000000  10.87550  5.683440
  C   5.000000  13.33650  7.104300
  C   5.000000  14.56700  7.814730
  C   5.000000  12.10600  4.973010
  C   5.000000  13.33650  5.683440
  C   5.000000  14.56700  4.973010
  H   5.000000  5.000000  7.654800
  H   5.000000  5.000000  5.132940
  H   5.000000  15.52049  7.264230
  H   5.000000  15.52049  5.523510
  C   5.000000  5.953494  11.36688
  C   5.000000  7.183995  12.07731
  C   5.000000  5.953494  9.946020
  C   5.000000  8.414496  11.36688
  C   5.000000  9.644997  12.07731
  C   5.000000  7.183995  9.235590
  C   5.000000  10.87550  11.36688
  C   5.000000  12.10600  12.07731
  C   5.000000  13.33650  11.36688
  C   5.000000  14.56700  12.07731
  C   5.000000  12.10600  9.235590
  C   5.000000  13.33650  9.946020
  C   5.000000  14.56700  9.235590
  H   5.000000  5.000000  11.91738
  H   5.000000  5.000000  9.395520
  H   5.000000  15.52049  11.52681
  H   5.000000  15.52049  9.786090
  C   5.000000  5.953494  15.62946
  C   5.000000  7.183995  16.33989
  C   5.000000  5.953494  14.20860
  C   5.000000  8.414496  15.62946
  C   5.000000  9.644997  16.33989
  C   5.000000  7.183995  13.49817
  C   5.000000  8.414496  14.20860
  C   5.000000  10.87550  15.62946
  C   5.000000  12.10600  16.33989
  C   5.000000  9.644997  13.49817
  C   5.000000  10.87550  14.20860
  C   5.000000  13.33650  15.62946
  C   5.000000  14.56700  16.33989
  C   5.000000  12.10600  13.49817
  C   5.000000  13.33650  14.20860
  C   5.000000  14.56700  13.49817
  H   5.000000  5.000000  16.17996
  H   5.000000  5.000000  13.65810
  H   5.000000  15.52049  15.78939
  H   5.000000  15.52049  14.04867
  C   5.000000  5.953494  19.89204
  C   5.000000  7.183995  20.60247
  C   5.000000  5.953494  18.47118
  C   5.000000  8.414496  19.89204
  C   5.000000  9.644997  20.60247
  C   5.000000  7.183995  17.76075
  C   5.000000  8.414496  18.47118
  C   5.000000  10.87550  19.89204
  C   5.000000  12.10600  20.60247
  C   5.000000  9.644997  17.76075
  C   5.000000  10.87550  18.47118
  C   5.000000  13.33650  19.89204
  C   5.000000  14.56700  20.60247
  C   5.000000  12.10600  17.76075
  C   5.000000  13.33650  18.47118
  C   5.000000  14.56700  17.76075
  H   5.000000  5.000000  20.44254
  H   5.000000  5.000000  17.92068
  H   5.000000  15.52049  20.05197
  H   5.000000  15.52049  18.31125
K_POINTS {automatic}
  1 1 100  0 0 0
CELL_PARAMETERS
10.0000 0.00000 0.00000
0.00000 20.5205 0.00000
0.00000 0.00000 21.3129