<div dir="ltr"><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Hello QE Users,<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">I am trying to calculate band structure of bixbite indium oxide., but it is giving wrong symmetry operation, saying no symmetry found. Could anyone help me to overcome from this problem?. Here is my input data, <br><br> &CONTROL<br>                 calculation = 'scf' ,<br>                restart_mode = 'from_scratch' ,<br>                      outdir = '/home/user/espresso-5.3.0/ino/' ,<br>                  pseudo_dir = '/home/user/espresso-5.3.0/pseudo/' ,<br>                      prefix = 'inouc' ,<br>                   verbosity = 'high' ,<br> /<br> &SYSTEM<br>                       ibrav = 3,<br>                       A = 10.117,<br>                         nat = 3,<br>                        ntyp = 3,<br>                     ecutwfc = 50,<br> /<br> &ELECTRONS<br>                    conv_thr = 1.D-6,<br> /<br> <br>ATOMIC_SPECIES<br>   In1  114.81800  In.pbe-d-rrkjus.UPF<br>   In2  114.81800  In.pbe-d-rrkjus.UPF <br>    O1   15.99900  O.pbe-rrkjus.UPF <br>ATOMIC_POSITIONS crystal <br>   In1      0.250   0.250    0.250    <br>   In2      0.467   0.000    0.255<br>    O1      0.391   0.154    0.382   <br>K_POINTS automatic <br>  6 6 6   0 0 0 <br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Thanks and Regards,<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Manu Hegde<br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">University of Waterloo<br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Canada<br></div></div>