[QE-users] pw2gw.x

[Fariba Islam]

Dear altruists,
I am writing the following pw2gw.x code to find the imaginary part of
dielectric constant of silicon
&inputpp
  prefix='si_pg',
  outdir='./tmp/',
  qplda=.false.,
  vxcdiag=.false.,
  vkb=.false.,
  Emin=0.0,
  Emax=25.0,
  DeltaE=0.05,
/

Why is my program crashing with the following error?
task #         0
     from pw2gw : error #      5010
     reading inputpp namelist

my scf and nscf codes are as follows-
scf code-
&control
    calculation = 'scf'
    restart_mode='from_scratch'
    prefix = 'si_pg'
    outdir='./tmp/'
    tstress= .true.
    tprnfor= .true.
    pseudo_dir='../pseudo/'
    verbosity         = 'high'
    disk_io = 'minimal'
/
&system
    ibrav=2, celldm(1) =10.410909236,
    nat=2, ntyp=1,
    ecutwfc=40
    ecutrho=320
    nbnd=8

    ! occupations='smearing', smearing='gaussian',degauss=0.005
/
&electrons
    conv_thr=1e-8
    mixing_mode       = 'plain'
    mixing_beta       = 0.7d0

/
&ions
    ion_dynamics='bfgs',
    upscale=10
/

ATOMIC_SPECIES
 Si  28.0855  Si.pbe-n-kjpaw_psl.1.0.0.UPF

ATOMIC_POSITIONS (alat)
 Si 0.00 0.00 0.00
 Si 0.25 0.25 0.25
K_POINTS {automatic}
6 6 6 0 0 0

nscf code:
&control
    calculation = 'nscf'
    restart_mode='from_scratch'
    prefix = 'si_pg'
    outdir='./tmp/'
    tstress= .true.
    tprnfor= .true.
    pseudo_dir='../pseudo/'
    verbosity         = 'high'
    disk_io = 'minimal'
/
&system
    ibrav=2, celldm(1) =10.410909236,
    nat=2, ntyp=1,
    ecutwfc=40
    ecutrho=320
    occupations='smearing' , smearing='gaussian',degauss=0.005
    nbnd=8
    nosym = .TRUE.
/
&electrons
    conv_thr          = 1.0d-8
    mixing_mode       = 'plain'
    mixing_beta       = 0.7d0
/
&ions
    ion_dynamics='bfgs',
    upscale=10
/


ATOMIC_SPECIES
 Si  28.0855   Si.pbe-n-kjpaw_psl.1.0.0.UPF

ATOMIC_POSITIONS (alat)
 Si 0.00 0.00 0.00
 Si 0.25 0.25 0.25
K_POINTS {automatic}
12 12 12 0 0 0

Regards
Fariba Islam
Bangladesh University of Engineering and Technology
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