[QE-users] error in pwi2xsf.x

[venky ch]

Dear QE users,

I would like to convert the structure at pwscf.in to a cif file. In this
process, while converting pwscf to xsf file, i have encountered an error
message as given below,

> pwi2xsf.x -r scf.in

========
AAt line 111 of file pwi2xsf.f90 (unit = 5, file = 'stdin')
Fortran runtime error: End of file

Error termination. Backtrace:
#0  0x2aaaad2405fe in next_record_r
        at
../../../cray-gcc-8.3.0-201903122028.16ea96cb84a9a/libgfortran/io/transfer.c:3503
#1  0x2aaaad242cae in finalize_transfer
        at
../../../cray-gcc-8.3.0-201903122028.16ea96cb84a9a/libgfortran/io/transfer.c:4038
#2  0x402f90 in pwi2xsf
        at
/mnt/lustre/new_apps/cle7/espresso/6.5/gcc/8.3.0/tar/qe-6.5/PW/tools/pwi2xsf.f90:111
#3  0x401ebc in main
        at
/mnt/lustre/new_apps/cle7/espresso/6.5/gcc/8.3.0/tar/qe-6.5/PW/tools/pwi2xsf.f90:374

============

The input file is scf.in which is given below

========= scf.in  =======


 &control
    calculation = 'scf'
    restart_mode='from_scratch'
    !restart_mode='restart'
    prefix='MoS2_mono'
    tprnfor = .true.
    tstress = .true.
    outdir = './out/'
    max_seconds = 3400
    pseudo_dir = '/home/proj/21/isuch/qesim/UPF/'
 /

 &system
  ibrav = 0
  celldm(1) = 6.02883
  nat = 3
  ntyp = 2
    ecutwfc = 50,
    ecutrho = 500,
  vdw_corr = 'grimme-d2'
    assume_isolated = '2D'
 /

 &electrons
    mixing_beta = 0.5,
    conv_thr =  1.0d-6,
 /
&ions
    ion_dynamics = 'bfgs'
/

&cell
    cell_dynamics = 'bfgs'
    cell_dofree = '2Dxy'
/
 CELL_PARAMETERS {alat}
   0.980073848  -0.000000000   0.000000000
  -0.490036924   0.848768850   0.000000000
   0.000000000   0.000000000   9.327594097

 ATOMIC_SPECIES
  Mo   95.96000  Mo.pz-spn-rrkjus_psl.0.2.UPF
  S   32.06750   S.pz-n-rrkjus_psl.0.1.UPF

 ATOMIC_POSITIONS (crystal)
Mo            0.6666666667        0.3333333333        0.3750000000
S             0.3333333333        0.6666666667        0.4273124395
S             0.3333333333        0.6666666667        0.3226875605

 K_POINTS {automatic}
   15 15 1 0 0 0
===============

Kindly help me out to solve the above error

thanks

venkatesh
IAP department
IISc Bangalore
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