&CONTROL
    prefix='bridge'
    calculation   = "relax"
    forc_conv_thr =  1.00000e-05
    etot_conv_thr =  1e-5
    nstep=2000
    restart_mode='from_scratch'
    pseudo_dir    = "/home/win/qe-6.6/pseudopotentials"
/

&SYSTEM
    a           =  14.8105
    c           =  1.60000e+01

    ecutrho     =  640
    ecutwfc     =  160
    ibrav       = 4
    nat         = 75
    ntyp        = 3
    occupations = "smearing"
    smearing= 'm-p'
    degauss=0.02

    vdw_corr = 'dft-d3'
    dftd3_version = 4
  
/

&ELECTRONS
    conv_thr         =  1.00000e-06
    electron_maxstep = 200
    mixing_beta      =  7.00000e-01

    diago_david_ndim = 12
/

&IONS
    ion_dynamics = "bfgs"
/

&CELL
/

K_POINTS {automatic}
3 3 1 0 0 0

ATOMIC_SPECIES
C      12.01070  C.pbe-n-rrkjus_psl.1.0.0.UPF
H       1.00794  H.pbe-rrkjus_psl.1.0.0.UPF
O      15.99940  O.pbe-n-rrkjus_psl.1.0.0.UPF

ATOMIC_POSITIONS {angstrom}

C             0.0004396917        2.8507069198        7.9557399331
C            -1.2339088122        3.5631753053        7.9561738032
C            -1.2339425481        4.9883088116        7.9560411781
C            -2.4683438740        5.7008174958        7.9559706559
C             3.7030025333        0.7131747259        7.9552691282
C             2.4688586525        1.4257271749        7.9550645524
C             2.4692664215        2.8509549492        7.9530316284
C             1.2347587632        3.5632156608        7.9540577184
C             1.2348518287        4.9883231650        7.9535948269
C             0.0004272541        5.7007847128        7.9553996180
C             6.1711123403        0.7131243696        7.9550285319
C             4.9370873739        1.4261258637        7.9533916740
C             4.9372574183        2.8512365386        7.9489632591
C             3.7034081144        3.5635794161        7.9490225251
C             3.7039552208        4.9885203235        7.9452567585
C             2.4694254463        5.7006342612        7.9504207872
O             5.5478020450        5.2841009984       11.1433407430
H             6.2310197086        4.9942388436       11.7694012315
H             4.8697660449        5.7027744610       11.6979273805
C            -2.4683656075        7.1259589699        7.9562397911
C            -3.7027006079        7.8384788452        7.9557077775
C            -3.7025697156        9.2636744042        7.9565232138
C            -4.9368216585        9.9762120247        7.9563874000
C            -4.9366262615       11.4014514065        7.9567249063
C            -6.1708422319       12.1140736563        7.9567502317
C             0.0002708869        7.1259761662        7.9559595428
C            -1.2340442906        7.8385204588        7.9567784785
C            -1.2340694623        9.2636776637        7.9573006286
C            -2.4683406945        9.9762962981        7.9571839389
C            -2.4682723453       11.4014810727        7.9570576500
C            -3.7024119071       12.1141789311        7.9566061320
C             2.4689711251        7.1258248221        7.9523133839
C             1.2346041085        7.8384551092        7.9554440835
C             1.2344410901        9.2636467265        7.9570813707
C             0.0001729144        9.9762555024        7.9578223086
C             0.0001135615       11.4014796641        7.9579432978
C            -1.2340812455       12.1141827386        7.9569653314
C             8.6394349298        0.7130311988        7.9568552352
C             7.4052181290        1.4258108364        7.9544340775
C             7.4047976748        2.8511188966        7.9502067741
C             6.1709381107        3.5641966619        7.9447644948
C             6.1708089534        4.9884717192        7.9390201888
C             4.9375657965        5.7005590641        7.9394837171
C            11.1080413823        0.7129312027        7.9576850866
C             9.8737747921        1.4255202688        7.9566746423
C             9.8735955142        2.8507026387        7.9548577766
C             8.6392306185        3.5633194712        7.9515444559
C             8.6388237270        4.9884722536        7.9497004228
C             7.4043112717        5.7005358770        7.9446175347
C            13.5765870481        0.7129261712        7.9572057434
C            12.3423008503        1.4254952124        7.9571628341
C            12.3422632198        2.8506450516        7.9565299450
C            11.1079387503        3.5631549192        7.9555325704
C            11.1077955508        4.9883359496        7.9550387765
C             9.8733667896        5.7007999368        7.9531145811
C             4.9373447566        7.1249581314        7.9455002971
C             3.7034097909        7.8380756983        7.9510520313
C             3.7030016127        9.2634179300        7.9551039173
C             2.4687733507        9.9761641078        7.9572956389
C             2.4686190727       11.4013967418        7.9583199582
C             1.2343472549       12.1140758369        7.9581663434
C             7.4049177290        7.1255228432        7.9488726673
C             6.1710746505        7.8379851768        7.9493637003
C             6.1711987978        9.2631419534        7.9538345246
C             4.9371339819        9.9761179453        7.9555649667
C             4.9370714451       11.4013202348        7.9573002124
C             3.7028647727       12.1139889008        7.9580857582
C             9.8735080591        7.1259336423        7.9538283489
C             8.6390328767        7.8382386578        7.9529241365
C             8.6394276058        9.2634921497        7.9551402043
C             7.4052944828        9.9760976147        7.9555062041
C             7.4054417367       11.4013559550        7.9567856798
C             6.1712837179       12.1140252598        7.9572567499
C             0.0003264242        1.4255239427        7.9565232810
C             1.2345984913        0.7130344907        7.9563711216

