[Pw_forum] vc-relax cell parameters are not changing

[Brendan Smith]

Hello all,

I am doing a the following vc-relax calculation and the unit cell paramters
are not changing. I have looked at other posts which descirbes similar
problems, but it does not remedy my problem. Below is my input.
Best,
Brendan


&CONTROL
  calculation = 'vc-relax',
  dt = 20.67055,
  nstep = 1000,
  pseudo_dir = './'
  outdir = './',
  prefix = 'x',
  disk_io = 'low',
/

&SYSTEM
  ibrav = 0,
  celldm(1) = 1.89,
  nat = 16,
  ntyp = 3,
  nspin = 1,
  nbnd = 120,
  ecutwfc = 70,
  ecutrho = 560,
  tot_charge = 0.0,
  occupations = 'smearing',
  smearing = 'gaussian',
  degauss = 0.005,
  nosym = .true.,
/

&ELECTRONS
  electron_maxstep = 1000,
  conv_thr = 1.D-5,
  mixing_beta = 0.45,
/

&IONS
  ion_dynamics = 'bfgs',
  ion_temperature = 'andersen',
  tempw = 300.00 ,
  nraise = 1,
/

&CELL
  cell_dynamics = 'bfgs',
  press_conv_thr = 0.5,
  cell_factor = 2.0,
  cell_dofree = 'all',
/

ATOMIC_SPECIES
 O  15.9994  O_pbe_v1.2.uspp.F.UPF
 V  50.9415  V_pbe_v1.uspp.F.UPF
 Pb 207.2    Pb.pbe-dn-rrkjus_psl.0.2.2.UPF

K_POINTS automatic
 3 3 3 0 0 0

CELL_PARAMETERS (alat)
       11.5439996719         0.0000000000         0.0000000000
        0.0000000000         3.5710000992         0.0000000000
        0.0000000000         0.0000000000         4.3829998970

ATOMIC_POSITIONS (alat)
 V    6.940599    0.892750    0.475994
 V    4.603400    2.678250    3.907006
 V   10.375401    0.892750    0.475994
 V    1.168599    2.678250    3.907006
 O    4.974309    0.892750    4.370728
 O    6.569691    2.678250    0.012272
 O    0.797690    0.892750    4.370728
 O   10.746309    2.678250    0.012272
 O    6.978348    0.892750    2.058695
 O    4.565652    2.678250    2.324305
 O   10.337652    0.892750    2.058695
 O    1.206349    2.678250    2.324305
 O    8.658000    0.892750    0.003506
 O    2.886000    2.678250    4.379493
 Pb   8.500000    2.500000    1.500000
 Pb   3.000000    1.500000    3.000000




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