Can you share your PW and PH input and output files using Google Drive? Did you check whether the PW calculation finished successfully?
If the PW calculation finished successfully, then you can try to remove recover=.true. in the PH input and try again. Greetings, Iurii ________________________________ From: users <users-boun...@lists.quantum-espresso.org> on behalf of Dr. K. C. Bhamu <kcbham...@gmail.com> Sent: Tuesday, December 1, 2020 12:04:50 PM To: Quantum Espresso users Forum Subject: [QE-users] Error in routine diropn (34): can't open a connected unit 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<http://qe.in> and ph.in<http://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<http://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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