[QE-users] P=********** in the output directory of quantum espresso users.

[BENYAHIA NEZHA]

Dear QE users,
 
i have created a supercell of GaN-ZnO and i've tried to optimise it  using the input file attached below.  however i receive in the output file a pressure of  P=********** and the convergence has been achieved. i used PAW pseudopotential.

I would be very grateful if somebody helps or give suggestions.


&CONTROL
    calculation   = "relax"
    etot_conv_thr =  1.00000e-04
    forc_conv_thr =  1.00000e-05
    outdir        = "./tmp/"
    prefix        = "GaN-ZnO4h"
    pseudo_dir    = "../pseudo"
    restart_mode  = "from_scratch"
    tprnfor       = .TRUE.
    tstress       = .TRUE.
/

&SYSTEM
    a           =  3.60 
    c           =  40
    ecutrho     =  7.20000e+02
    ecutwfc     =  1.00000e+01
    ibrav       = 4
    nat         = 32
    ntyp        = 4
    occupations = "smearing"
    smearing    = "gaussian"
    degauss      =0.02,
/

&ELECTRONS
    conv_thr         =  1.00000e-07
    diagonalization  = "david"
    mixing_beta      =  3.00000e-01
/

&IONS
    ion_dynamics = "bfgs"
/

&CELL
/

K_POINTS {automatic}
4 4 1  0 0 0

ATOMIC_SPECIES
Ga     69.72300  Ga.pz.UPF
N      14.00680  N.pz.UPF
Zn     65.39000  Zn.pz.UPF
O      15.99940  O.pz.UPF

ATOMIC_POSITIONS {crystal}
Ga      0.000000   0.000000   0.000000
Ga      0.666668   0.333334   0.125000
Ga      0.333334   0.666668   0.187500
Ga      0.333334   0.666668   0.062500
N       0.000000   0.000000   0.046875
N       0.666668   0.333334   0.171875
N       0.333334   0.666668   0.234375
N       0.333334   0.666668   0.109375
Ga      0.000000   0.000000   0.250000
Ga      0.666668   0.333334   0.375000
Ga      0.333334   0.666668   0.437500
Ga      0.333334   0.666668   0.312500
N       0.000000   0.000000   0.296875
N       0.666668   0.333334   0.421875
N       0.333334   0.666668   0.484375
N       0.333334   0.666668   0.359375
Zn      0.000000   0.000000   0.500000
Zn      0.666668   0.333334   0.625000
Zn      0.333334   0.666668   0.687500
Zn      0.333334   0.666668   0.562500
O       0.000000   0.000000   0.546875
O       0.666668   0.333334   0.671875
O       0.333334   0.666668   0.734375
O       0.333334   0.666668   0.609375
Zn      0.000000   0.000000   0.750000
Zn      0.666668   0.333334   0.875000
Zn      0.333334   0.666668   0.937500
Zn      0.333334   0.666668   0.812500
O       0.000000   0.000000   0.796875
O       0.666668   0.333334   0.921875
O       0.333334   0.666668   0.984375
O       0.333334   0.666668   0.859375


BENYAHIA NEZHA
PhD Student in Materials Science
LPMF-USTO 
Algeria