Dear users and developers, I got some problem about quantum espresso interface to boltztrap. After scf and nscf calculation, I try to use qe2boltz.py to convert the data, but 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 got a good execution with 1*2*2 supercell use 4*6*6 kpoints, but it failed with 1*5*5 supercell only use gamma point. Do you know why this happen? Thank you in advance. -- Yao-Hong Huang Department of Mechanical Engineering National Chen Kung University Tainan, Taiwan
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