[QE-users] Open_grid error: Error in routine pw_readschemafile (1): xml data file not found

[TERSOO ATSUE]

Dear respected QE users,
I have consistently have issues with open_grid.x code. Search on the
archive did not yield positive results.
The code crash consistently on the cluster machine and personal laptop. The
error message returned by the code is
     Program OPEN_GRID v.6.4.1 starts on 26Jun2020 at 10:20:35

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI & OpenMP), running on       1 processor cores
     Number of MPI processes:                 1
     Threads/MPI process:                     1

     MPI processes distributed on     1 nodes

  Reading nscf_save data

     Reading data from directory:
     ./.save/

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine pw_readschemafile (1):
     xml data file not found
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

The input file for open_grid is
&iputpp
  outdir = './CdSout/'
  prefix = 'CdS'
/
And the scf input file for this program is
&CONTROL
  calculation = 'scf'
  restart_mode = 'from_scratch'
  etot_conv_thr =   8.0000000000d-05
  forc_conv_thr =   1.0000000000d-04
  outdir = './CdSout/'
  prefix = 'CdS'
  pseudo_dir = './pseudo/'
/
&SYSTEM
  degauss =   7.3498618000d-03
  ecutrho =   4.8000000000d+02
  ecutwfc =   6.0000000000d+01
  ibrav = 0
  nat = 2
  ntyp = 2
  nbnd = 40
  occupations = 'smearing'
  smearing = 'cold'
/
&ELECTRONS
  conv_thr =   1.6000000000d-06
  mixing_beta =   4.0000000000d-01
/
ATOMIC_SPECIES
Cd     112.41 Cd.pbe-dn-rrkjus_psl.0.3.1.UPF
S      32.066 s_pbe_v1.4.uspp.F.UPF
ATOMIC_POSITIONS (crystal)
Cd       0.000000000   0.000000000   0.000000000
Cd       0.000000000   0.500000000   0.500000000
Cd       0.500000000   0.000000000   0.500000000
Cd       0.500000000   0.500000000   0.000000000
S        0.750000000   0.250000000   0.750000000
S        0.750000000   0.750000000   0.250000000
S        0.250000000   0.250000000   0.250000000
S        0.250000000   0.750000000   0.750000000
K_POINTS automatic
4 4 4 0 0 0

The pw.x runs successfully for the scf computation but open_grid.x failed.
Any assistant will be greatly appreciated.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200706/b901b426/attachment.html>