[QE-users] Error in routine diropn (34): can't open a connected unit

[Dr. K. C. Bhamu]

Dear Users
I am trying to calculate the phonon band structure of Ni(OH)2 slab on a
well converged scf.

I am using QE version 6.6 (also tried 6.5 and 6.4.1). QE is compiled with
the mkl-2020.2.254 parallel library.
I am getting below error:

     Error in routine diropn (34):
     can't open a connected unit
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

I have checked the mailing list but it could not help me.
For the bulk system, it is running well.

Below are my qe.in and ph.in files:

&CONTROL
                 calculation = 'scf'
                      outdir = './tmp'
                  pseudo_dir = './'
                      prefix = 'pwscf'
                   verbosity = 'default'
               etot_conv_thr = 0.00001
               forc_conv_thr = 0.0001
                       nstep = 400
                     tstress = .true.
                     tprnfor = .true.

/

&SYSTEM
                       ibrav = 0
                    celldm(1)=42.3160703759d0,
                         nat = 15
                        ntyp = 3
                     ecutwfc = 85
                     ecutrho = 680
    starting_magnetization(1)= 1,
    occupations='smearing', smearing='mv', degauss=0.005,
    nspin=2,
    lda_plus_u=.true.  Hubbard_U(1)=5.5

 /
 &ELECTRONS
            electron_maxstep = 700
                    conv_thr = 1.0D-8
 /
&IONS
                ion_dynamics = 'bfgs'
 /
&CELL
/
ATOMIC_SPECIES
Ni     58.6934 ni_pbe_v1.4.uspp.F.UPF
H      1.00794 H.pbe-rrkjus_psl.1.0.0.UPF
O      15.9994 O.pbe-n-kjpaw_psl.0.1.UPF

ATOMIC_POSITIONS {crystal}
Ni            0.4086271180        0.2500000000        0.0562779067
Ni            0.5310297978        0.7500000000        0.1575988843
Ni            0.6555917806        0.2500000000        0.2252620504
H             0.3556718912        0.7500000000        0.7569475855
H             0.4905989850        0.2500000000        0.7519547270
H             0.6813126358        0.7500000000        0.8495914755
H             0.3051177957        0.2500000000        0.2908234852
H             0.4287025160        0.7500000000        0.4856771252
H             0.5663785349        0.2500000000        0.5842143961
O             0.3991582306        0.7500000000        0.7744084930
O             0.5245603948        0.2500000000        0.8820391483
O             0.6867859121        0.7500000000        1.0544632655
O             0.3217306969        0.2500000000        0.0997462181
O             0.4457256438        0.7500000000        0.2821321300
O             0.5751880668        0.2500000000        0.3748931091

CELL_PARAMETERS {alat}
  1.000000000000d0  0.000000000000d0  0.000000000000d0
  0.000000000000d0  0.142952837309d0  0.000000000000d0
  0.000000000000d0  0.000000000000d0  0.209983610730d0

K_POINTS automatic
1 4 4   0 0 0


ph.in

&inputph
recover=.true.,
tr2_ph = 1.0d-12
prefix ='pwscf'
alpha_mix =0.3
ldisp = .true.,
trans=.true.,
fildvscf='dvscf'
electron_phonon= " "
nq1=1
nq2=4
nq3=4
outdir ='./tmp'
fildyn = 'slab.dyn'
/


Any suggestion will be appreciated.

Thank you very much.


K.C. Bhamu
Postdoctoral Fellow
University of Ulsan
ROK
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