[Wannier] from setup_nnkp : error # 1 wrong excluded band index

[Lodvert TCHIBOTA POATY]

Hello  Community !

Performing wannier functions for an isolated molecule of water, I have
this error in the last step (library mode) :

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         0
     from setup_nnkp : error #         1
      wrong excluded band index
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
How to solve this problem ?

pw input file :

&CONTROL
  calculation  = 'scf',
  prefix       = 'H2O',
  pseudo_dir   = '/afs/ictp.it/home/l/ltchibot/logitech/qe-6.0/pseudo',
  outdir       = './tmp',
/
&SYSTEM
  ibrav     = 0,
  nat       = 3
  ntyp      = 2,
  ecutwfc   = 35,
  ecutrho   = 280,
  occupations = 'fixed'
/
&ELECTRONS
  diagonalization = 'cg'
  conv_thr    = 1.D-7,
  mixing_beta = 0.2D0,
/
CELL_PARAMETERS bohr
17.0   0.0    0.0
 0.0  17.0    0.0
 0.0   0.0   17.0
ATOMIC_SPECIES
 H 1.00  H.pbe-rrkjus.UPF
 O 16.00 O.pbe-rrkjus.UPF
ATOMIC_POSITIONS (angstrom)
O     5.01757     1.83258     2.41933
H     5.48965     1.4012      3.11205
H     4.1684      1.4082      2.36026
K_POINTS Gamma

wannier input file

## Valence + conduction states ##
#num_wann        = 18
#num_bands       = 90
#dis_froz_max    = -6.0
#dis_win_max     =  4.0
#dis_num_iter    =  100
#################################

num_iter        = 100

translate_home_cell=true

guiding_centres = true

iprint          = 2

## Plotting #################
#restart             = plot
#wannier_plot        = true
#wannier_plot_format = cube
#wannier_plot_list   = 1,7,13
#############################

mp_grid         : 1 1 1
gamma_only      = true

begin kpoints
0.0000  0.0000   0.0000
end kpoints

begin atoms_cart
O     5.01757     1.83258     2.41933
H     5.48965     1.4012      3.11205
H     4.1684      1.4082      2.36026
end atoms_cart

## Valence states ##
begin projections
O:px
O:py
H:s
end projections
####################

## Valence + conduction states ##
#begin projections
#Bohr
#H:s
#c=  13.0,  12.7,  15.0 : s
#c=  13.0,  17.3,  15.0 : s
#c=  11.0,  16.1,  15.0 : s
#c=  11.0,  13.9,  15.0 : s
#c=  15.0,  13.9,  15.0 : s
#c=  15.0,  16.1,  15.0 : s
#C:pz
#end projections
#################################
begin unit_cell_cart
bohr
17.00    0.00   0.00
 0.00   17.00   0.00
 0.00    0.00  17.00
end_unit_cell_cart

pw2wan (library mode) input file

&inputpp
  outdir     =  './tmp'
  prefix     =  'H2O'
  seedname   =  'water'
  write_amn  =  .true.
  write_mmn  =  .true.
  write_unk  =  .true.
  wan_mode = 'library'
/

Thanks for your suggestions.

-- 
Lodvert TCHIBOTA POATY
PhD student
Materials for Renewable Energy Applications
PERMANENT INSTITUTE
UR-2N/IRSEN/FD-SME/UMNG
Brazzaville - Republic of Congo
Mail : lodvert at gmail.com
Contact : +242 05 576 11 98
              +242 06 914 45 42

PRESENT INSTITUTE
The Abdus Salam International Centre for Theoretical Physics (ICTP)
Section of Condensed Matter and Statistical Physics (CMSP)
Strada Costiera, 11
I - 34151 Trieste Italy
Mail : ltchibot at ictp.it
Phone : +39 329 465 62 68
LB Room 305