I am not able to fix because I don't know python. Here is my script, so could you please fix that and send the script. Regards *Mohammad Ubaid* *PhD Research Scholar* *Department of Physics* *Jamia Millia Islamia University* *New Delhi - 110025*
On Wed, Dec 26, 2018 at 5:28 PM DongKyu Lee <risingher...@gmail.com> wrote: > Dear Ubaid Mohd, > > The python script can not find symmetry-information when "nosym = .true.". > It will be fixed by adding code to handle error exception. > I solved the problem as adding > " > try: > print(nsym) > except: > nsym=1 > " > after code " i += 1 " in line 115. > > Sincerely, > > /************************************************************************ > > Dongkyu Lee / Master Candidate > Computational Many-Body Physics Group > Department of Physics and Photon Science > Gwangju Institute of Science and Technology [GIST] > Gwangju 61005, South Korea > > Office. +82-62-715-2855 > Mobile. +82-10-5000-0016 > Email. physdk...@gist.ac.kr > > **************************************************************************/ > > ------------------------------ > > Message: 4 > Date: Wed, 26 Dec 2018 13:42:08 +0530 > From: Ubaid Mohd <onlymub...@gmail.com> > To: users@lists.quantum-espresso.org > Subject: [QE-users] QE_2_BoltzTrap > Message-ID: > < > cacgvgwgbqb7zfv+ihuhehjupvznmz0vc-epovpzgy+xqsea...@mail.gmail.com> > Content-Type: text/plain; charset="utf-8" > > Dear users, > I am using BoltzTrap for thermoelectric properties. I am following the > steps like scf and nscf calculation, then using the script qe2boltz.py to > convert the data for BoltzTrap. Some times script converts the data without > any error and some times I got this error: > Traceback (most recent call last): > File "/pkg/chem/boltztrap125/util/qe2boltz.py", line 253, in <module> > sys.exit(main()) > File "/pkg/chem/boltztrap125/util/qe2boltz.py", line 130, in main > for ir in range(nsym): > UnboundLocalError: local variable 'nsym' referenced before assignment. > I am unable to sort out the error but I can say it may be due nscf input. > So please guide me how to sort out this error? > Thanks and regards > *Mohammad Ubaid* > *PhD Research Scholar* > *Department of Physics* > *Jamia Millia Islamia University* > *New Delhi - 110025* > _______________________________________________ > users mailing list > users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
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