[Pw_forum] too many iterations

[Ravi Kiran]

Dear Quantum espresso users,

I am not able to run the example code using cp. I am getting the error '
Error in routine  tqli (200):      too many iterations". I tried reducing
the maxiter from 200 to 100 but I still get the same error. Also I changed
the time-step but it is no use. The input script I am using is

&CONTROL
  calculation = 'cp',
  restart_mode = 'from_scratch',
  nstep  = 5,
  iprint = 10,
  isave  = 10,
  tstress = .TRUE.,
  tprnfor = .TRUE.,
  dt    = 1.0d0,
  prefix = 'Si_dimer',
  pseudo_dir = '/home/ras256us/calc/pspot',
   outdir = '/home/ras256us/calc/pspot/temp',
/
&SYSTEM
  ibrav = 8,
  celldm(1) = 10.,
  celldm(2) = 1.0,
  celldm(3) = 1.5,
  celldm(4) = 0.0,
  celldm(5) = 0.0,
  celldm(6) = 0.0,
  nbnd=8,
  nat  =2,
  ntyp =1,
  ecutwfc = 15,
  ecutrho = 60,
  nr1b=20,nr2b=20,nr3b=20
  occupations = 'ensemble',
  smearing='fd',
  degauss=0.025,
  nspin=1,
/
&ELECTRONS
  emass = 1000.d0,
  emass_cutoff = 4.d0,
  orthogonalization = 'Gram-Schmidt',
  startingwfc = 'random',
  ampre = 0.02,
  n_inner = 8,
  tcg = .true.,
  passop=0.3,
  maxiter = 100,
  conv_thr=1.d-6
/
&IONS
  ion_dynamics = 'damp',
  ion_damping = 0.,
  ion_positions = 'from_input',
  greasp=1.0,
  ion_radius(1) = 0.8d0,
  ion_temperature = 'not_controlled',
/
ATOMIC_SPECIES
 Si 28.086 Si.pbe-rrkj.UPF
ATOMIC_POSITIONS (bohr)
Si 0. 0. 0.  1 1 1
Si 0. 0. 5.5 1 1 1

-- 
Thanks
Ravi
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