[QE-users] open_grid.x with ibrav =4 error

[saramoh at tezu.ernet.in]

Dear Sir/Madam,

After generating k points grid with open_grid.x, when i do pw2wan, i
encounter an error  like
 numk=         144  iknum=          38

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine pw2wannier90 (144):
     Wrong number of k-points


The input file is attached here,

&CONTROL
  calculation = 'scf'
  !etot_conv_thr =   1.0000000000d-05
  !forc_conv_thr =   1.0000000000d-04
  outdir = './out/'
  prefix = 'vse2'
  pseudo_dir = '/scratch/saransha/'
  !tprnfor = .true.
  !tstress = .true.
  verbosity = 'high'
/

&SYSTEM
  ibrav=4,
  celldm(1)=6.3780335403d0, celldm(3)=4.4442995932d0,
  nat=3,
  ntyp=2,
  nspin = 2
  ecutwfc=50,
  ecutrho=400,
  Hubbard_U(1) = 2,
  lda_plus_u        = .true.,
  lda_plus_u_kind   =  0,
  U_projection_type = 'ortho-atomic'
  occupations = 'smearing'
  smearing = 'gaussian'
  degauss=0.01d0,
  starting_magnetization(1) =   3.8461538462d-01
/

&ELECTRONS
  conv_thr=1d-012,
  mixing_beta=0.7d0,
/

ATOMIC_SPECIES
  V   50.9415 V.pbe-spnl-kjpaw_psl.1.0.0.UPF
 Se   78.96  Se.pbe-n-kjpaw_psl.1.0.0.UPF

ATOMIC_POSITIONS (crystal)
V            -0.0000000000       -0.0000000000        0.5000000952
Se            0.3333336793        0.6666673581        0.3937813351
Se            0.3333336782        0.6666673567        0.6062186649

K_POINTS automatic
12 12 1 0 0 0

Waiting for your kind response


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