<div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div>Dear Ubaid Mohd,</div><div><br></div><div>The python script can not find symmetry-information when "nosym = .true.".<br></div><div>It will be fixed by adding code to handle error exception.<br></div><div>I solved the problem as adding <br></div><div>"</div><div>    try:</div><div>        print(nsym)</div><div>    except:</div><div>        nsym=1</div><div>"</div><div>after code " i += 1 " in line 115.</div><div><br></div><div>Sincerely,</div><div><br></div><div><div style="font-family:gulim,"Apple Gothic",sans-serif;font-size:12px;color:rgb(0,0,0)"><span style="font-family:Arial,sans-serif;font-size:8pt">/************************************************************************</span><span style="font-family:Arial,sans-serif;font-size:8pt"> </span></div><div style="font-family:gulim,"Apple Gothic",sans-serif;font-size:12px;color:rgb(0,0,0);line-height:0.5"><span style="font-family:Arial,sans-serif;font-size:8pt"><br></span></div><div style="font-family:gulim,"Apple Gothic",sans-serif;font-size:12px;color:rgb(0,0,0);margin-left:2em"><span style="font-weight:bold;font-size:10pt;font-family:Arial,sans-serif">Dongkyu Lee</span><span style="font-size:10pt;font-family:Arial,sans-serif"><b>  </b>/<b> </b></span><span style="font-size:8pt;font-family:Arial,sans-serif">Master Candidate</span><span style="font-size:8pt;font-family:Arial,sans-serif"> </span><br><span style="font-size:8pt;font-family:Arial,sans-serif;color:rgb(76,76,76)">Computational Many-Body Physics Group</span></div><div style="font-family:gulim,"Apple Gothic",sans-serif;font-size:12px;color:rgb(0,0,0);margin-left:2em"><span style="font-size:8pt;font-family:Arial,sans-serif;color:rgb(76,76,76)">Department of Physics and Photon Science</span><span style="font-size:8pt;font-family:Arial,sans-serif;color:rgb(76,76,76)"> </span><br><span style="font-size:8pt;font-family:Arial,sans-serif;color:rgb(76,76,76)">Gwangju Institute of Science and Technology</span><span style="font-size:8pt;font-family:Arial,sans-serif;color:rgb(76,76,76)"> [GIST]</span><br><span style="font-size:8pt;font-family:Arial,sans-serif;color:rgb(76,76,76)">Gwangju 61005, South Korea</span><span style="font-size:8pt;font-family:Arial,sans-serif;color:rgb(76,76,76)"> </span></div><div style="font-family:gulim,"Apple Gothic",sans-serif;color:rgb(0,0,0)"><span style="font-size:12px"><span style="font-family:Arial,sans-serif;font-size:8pt"><br></span></span></div><div style="font-family:gulim,"Apple Gothic",sans-serif;color:rgb(0,0,0);margin-left:2em"><span style="font-size:12px"><span style="font-family:Arial,sans-serif;font-size:8pt">Office.  +82-62-715-2855</span></span></div><div style="font-family:gulim,"Apple Gothic",sans-serif;color:rgb(0,0,0);margin-left:2em"><span style="font-size:12px"><span style="font-family:Arial,sans-serif;font-size:8pt">Mobile. +82-10-5000-0016                       </span></span><br><span style="font-size:12px"><span style="font-family:Arial,sans-serif;font-size:8pt">Email.</span><span style="font-family:Arial,sans-serif;font-size:8pt"> </span></span><a href="mailto:physdklee@gist.ac.kr" target="_blank" style="font-size:12px"><span style="font-family:Arial,sans-serif;font-size:8pt;color:rgb(0,0,0)">physdklee</span><span style="font-family:Arial,sans-serif;font-size:8pt;color:rgb(0,0,0)">@gist.ac.kr</span></a><span style="font-size:8pt;font-family:Arial,sans-serif">                  </span></div><div style="font-family:gulim,"Apple Gothic",sans-serif;color:rgb(0,0,0);margin-left:2em"><span style="font-size:8pt;font-family:Arial,sans-serif"><br></span></div><div style="font-family:gulim,"Apple Gothic",sans-serif;color:rgb(0,0,0)"><span style="font-size:8pt;font-family:Arial,sans-serif">**************************************************************************/</span></div></div><div><br></div>------------------------------<br><br>Message: 4<br>Date: Wed, 26 Dec 2018 13:42:08 +0530<br>From: Ubaid Mohd <<a href="mailto:onlymubaid@gmail.com" target="_blank">onlymubaid@gmail.com</a>><br>To: <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>Subject: [QE-users] QE_2_BoltzTrap<br>Message-ID:<br>        <<a href="mailto:CACgVGwgBqb7ZFV%2BiHuhEhJuPVzNMz0vc-epoVPZGY%2BXQSEAKwA@mail.gmail.com" target="_blank">CACgVGwgBqb7ZFV+iHuhEhJuPVzNMz0vc-epoVPZGY+XQSEAKwA@mail.gmail.com</a>><br>Content-Type: text/plain; charset="utf-8"<br><br>Dear users,<br>  I am using BoltzTrap for thermoelectric properties. I am following the<br>steps like  scf and nscf calculation, then using the script qe2boltz.py to<br>convert the data for BoltzTrap. Some times script converts the data without<br>any error and some times I got this error:<br>Traceback (most recent call last):<br>File "/pkg/chem/boltztrap125/util/qe2boltz.py", line 253, in <module><br>sys.exit(main())<br>File "/pkg/chem/boltztrap125/util/qe2boltz.py", line 130, in main<br>for ir in range(nsym):<br>UnboundLocalError: local variable 'nsym' referenced before assignment.<br> I am unable to sort out the error but I can say it may be due nscf input.<br>So please guide me how to sort out this error?<br>Thanks and regards<br>*Mohammad Ubaid*<br>*PhD Research Scholar*<br>*Department of Physics*<br>*Jamia Millia Islamia University*<br>*New Delhi - 110025*  <br></div></div></div></div>