[Pw_forum] I can't find the error :-(

[Davide Tiana]

Dear all,
sorry if I bother you with a silly pw input. I can't figure out why  
this input is wrong. Comparing with similar ones everything seems to  
be fine.
(I don't know if it is another clue but it can be open with no problem  
with PWgui).
Thanks in advanced for any helps you can give me.

where is the error in this input file?

&control
     calculation='relax',
     title='zigzag',
     wf_collect=.true.,
     outdir='./',
     prefix='zigzag',
     etot_conv_thr=5.0d-4,
     forc_conv_thr=1.0d-3,
  /
  &system
    ibrav=14,
    A=7.0008,
    B=9.7164,
    C=16.693,
    cosBC=?0.073568915,
    cosAC=?0.163584241,
    cosAB=?0.046461386,
    nat=53,
    ntyp=6,
    tot_charge=0.0,
    ecutwfc=45.0,
    ecutrho=450.0,
    nosym=.false.,
    nosym_evc=.false.,
    london=.true.,
    london_s6=0.75,
    london_rcut=200,
    occupations='smearing',
    smearing='marzari-vanderbilt'
    degauss=0.04
  /
  &electrons
    electron_maxstep=80,
    conv_thr=1.0d-6,
    mixing_mode='plain',
    mixing_beta=0.7,
    mixing_ndim=8,
    mixing_fixed_ns=0,
    diagonalization='david',
  /
  &ions
    ion_dynamics='bfgs',
    ion_positions='default',
    phase_space='full',
    pot_extrapolation='atomic',
    wfc_extrapolation='none',
    remove_rigid_rot=.false.,
    upscale=100.d0,
    bfgs_ndim=1,
    trust_radius_max=0.8D0,
    trust_radius_min=1.D-3,
    trust_radius_ini=0.5D0,
    w_1=0.01D0
    w_2=0.5D0
  /
  ATOMIC_SPECIES
    H  1.007   H.pw91-rrkjus.UPF
    C  12.011  C.pw91-n-rrkjus.UPF
    N  14.007  N.pw91-n-rrkjus.UPF
    O  15.999  O.pw91-n-rrkjus.UPF
    S  32.066  S.pw91-n-rrkjus.UPF
    Zn 65.409  Zn.pw91-dn-rrkjus.UPF
ATOMIC_POSITIONS (crystal)
Zn         0.578420  0.797930  0.245020
S          0.892900  0.754800  0.321720
S          0.532400  0.630140  0.359300
C          0.775600  0.651200  0.377600
C          0.893100  0.574400  0.441400
C          0.802500  0.499300  0.494300
C          1.092900  0.573600  0.448400
H          0.658484  0.497791  0.491135
H          1.162620  0.626518  0.411599
S          0.232700  0.793820  0.174940
S          0.513200  0.591440  0.145020
C          0.286200  0.648800  0.123000
C          0.138700  0.573400  0.060200
C          0.053700  0.395600 -0.051300
C          0.191700  0.466400  0.008600
H          0.093523  0.320982 -0.088598
H          0.329520  0.440313  0.014493
O          0.543300  0.972400  0.325600
C          0.401000  0.972900  0.360600
C          0.495200  1.200600  0.427500
C          0.202400  1.072700  0.453100
N          0.365000  1.076500  0.411100
H          0.312744  0.887449  0.347623
H          0.632077  1.173674  0.441456
H          0.461004  1.259340  0.474237
H          0.481812  1.253835  0.378051
H          0.200577  1.162451  0.486274
H          0.079775  1.057289  0.412588
H          0.213205  0.995558  0.489830
O          0.687700  0.922400  0.166600
C          0.597200  1.022500  0.140400
C          0.540300  1.212500  0.055600
C          0.818000  1.065600  0.046900
N          0.647900  1.095500  0.082600
H          0.481877  1.044650  0.166216
H          0.630783  1.296591  0.061083
H          0.437698  1.228952  0.089877
H          0.478294  1.192415 -0.002688
H          0.918244  1.143828  0.062698
H          0.781594  1.053830 -0.013740
H          0.871518  0.978618  0.067224
O          1.235300  0.156000  0.202600
C          1.085900  0.157600  0.233400
C          1.063400  0.403000  0.231000
C          0.820300  0.263900  0.285800
N          0.993400  0.269100  0.249500
H          1.037676  0.064331  0.245752
H          0.950768  0.458791  0.212031
H          1.143621  0.451642  0.281051
H          1.144441  0.391320  0.187189
H          0.711560  0.301097  0.248624
H          0.785186  0.165940  0.294816
H          0.844111  0.320974  0.339219
K_POINTS {automatic}
4 3 7 0 0 0