<div dir="ltr"><div>Dear Quantum Espresso Users</div><div>I am running phonon of ZnO using qe version 6.6 that is compiled using</div><div>MPIF90=mpiifort F90=mpiifort F77=mpiifort CC=mpiicc --disable-openmp --enable-parallel --with-scalapack=intel <br></div><div><br></div><div>I am getting the same erro what is reported at the below thread.</div><div><br></div><div><a href="https://gitlab.com/QEF/q-e/-/merge_requests/1069">https://gitlab.com/QEF/q-e/-/merge_requests/1069<br></a></div><div><br></div><div>Could someone please help me what should I do to resolve this?</div><div><br></div><div>Thank you</div><div>Rekha</div><div><a href="https://gitlab.com/QEF/q-e/-/merge_requests/1069"><br></a></div><div>My input files are given below:</div><div><a href="https://gitlab.com/QEF/q-e/-/merge_requests/1069"><br></a></div><div>&CONTROL<br>                 calculation = 'scf'<br>                restart_mode = 'from_scratch'<br>                      outdir = './tmp'<br>                  pseudo_dir = '~/PPs'<br>                      prefix = 'pwscf'<br>!                     disk_io = 'none'<br>                   verbosity = 'default'<br>               etot_conv_thr = 0.00001<br>               forc_conv_thr = 0.0001<br>                       nstep = 400<br>                     tstress = .true.<br>                     tprnfor = .true.<br> /<br> &SYSTEM<br>                       ibrav = 0<br>                         nat = 4<br>                        ntyp = 2<br>                     ecutwfc = 85<br>                     ecutrho = 680<br> /<br> &ELECTRONS<br>            electron_maxstep = 200<br>                    conv_thr = 1.0D-10<br>                 mixing_beta = 0.5<br> /<br>&IONS<br>                ion_dynamics = 'bfgs'<br> /<br>&CELL<br>/<br><br>ATOMIC_SPECIES<br>   Zn   65.3900000000  Zn_pbe_v1.uspp.F.UPF<br>    O   15.9994000000  O.pbe-n-kjpaw_psl.0.1.UPF<br><br>CELL_PARAMETERS (bohr)<br>   6.203108717   0.000000000   0.000000000<br>  -3.101554358   5.372049731   0.000000000<br>   0.000000000   0.000000000  10.009137584<br><br>ATOMIC_POSITIONS (crystal)<br>Zn            0.3333330000        0.6666670000        0.0005525525<br>Zn            0.6666670000        0.3333330000        0.5005525525<br>O             0.3333330000        0.6666670000        0.3797574475<br>O             0.6666670000        0.3333330000        0.8797574475<br><br><br>K_POINTS automatic<br>8 8 4   0 0 0<br></div><div><br></div><div><br></div><div>&inputph<br>recover=.true.,<br>tr2_ph = 1.0d-12<br>prefix ='pwscf'<br>alpha_mix =0.3<br>ldisp = .true.,<br>trans=.true.,<br>fildvscf='dvscf'<br>electron_phonon= " "<br>nq1=4<br>nq2=4<br>nq3=2<br>outdir ='./tmp'<br>fildyn = 'zno.dyn'<br>/<br></div>-- <br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><font face="georgia, serif" size="4"><br></font></div><div><font face="georgia, serif" size="4"><br></font></div><div><font face="georgia, serif" size="4"><br></font></div><div><font face="georgia, serif" size="4"><br></font></div><div><font face="georgia, serif" size="4">Best wishes</font></div><div><br></div><div><div><font face="georgia, serif" color="#000000" size="4">Ms. Rekha</font></div><div><span style="color:rgb(0,0,0);font-family:georgia,serif;font-size:large">Teaching Assistant,</span></div><div><font color="#000000" face="georgia, serif" size="4">Department of Physics</font></div><div><span style="color:rgb(0,0,0);font-family:georgia,serif;font-size:large">RK college, Jaipur, </span><span style="color:rgb(0,0,0);font-family:georgia,serif;font-size:large">India</span></div><div><font face="georgia, serif" color="#000000" size="4">Mob.: +11 91-95 790 71 697</font></div><div><font face="georgia, serif" color="#000000" size="4">Email: <a href="mailto:rekha1997jpr@gmail.com" target="_blank">rekha1997jpr@gmail.com</a></font></div></div></div></div></div></div></div>