Dear @alex
I got the following traceback while running the command ‘amset wave’ to generate the wavefuncton coefficients:
Traceback (most recent call last):
File “/mnt/beegfs/workdir/anustup.mukherjee/anaconda3/envs/amset/bin/amset”, line 10, in
sys.exit(cli())
File “/mnt/beegfs/home/CPHT/anustup.mukherjee/.local/lib/python3.9/site-packages/click/core.py”, line 1130, in call
return self.main(*args, **kwargs)
File “/mnt/beegfs/home/CPHT/anustup.mukherjee/.local/lib/python3.9/site-packages/click/core.py”, line 1055, in main
rv = self.invoke(ctx)
File “/mnt/beegfs/home/CPHT/anustup.mukherjee/.local/lib/python3.9/site-packages/click/core.py”, line 1657, in invoke
return _process_result(sub_ctx.command.invoke(sub_ctx))
File “/mnt/beegfs/home/CPHT/anustup.mukherjee/.local/lib/python3.9/site-packages/click/core.py”, line 1404, in invoke
return ctx.invoke(self.callback, **ctx.params)
File “/mnt/beegfs/home/CPHT/anustup.mukherjee/.local/lib/python3.9/site-packages/click/core.py”, line 760, in invoke
return __callback(*args, **kwargs)
File “/mnt/beegfs/home/CPHT/anustup.mukherjee/.local/lib/python3.9/site-packages/amset/tools/wavefunction.py”, line 78, in wave
vr = BSVasprun(vasprun_file)
File “/mnt/beegfs/workdir/anustup.mukherjee/anaconda3/envs/amset/lib/python3.9/site-packages/pymatgen/io/vasp/outputs.py”, line 1581, in init
for _, elem in ET.iterparse(f):
File “/mnt/beegfs/workdir/anustup.mukherjee/anaconda3/envs/amset/lib/python3.9/xml/etree/ElementTree.py”, line 1255, in iterator
yield from pullparser.read_events()
File “/mnt/beegfs/workdir/anustup.mukherjee/anaconda3/envs/amset/lib/python3.9/xml/etree/ElementTree.py”, line 1326, in read_events
raise event
File “/mnt/beegfs/workdir/anustup.mukherjee/anaconda3/envs/amset/lib/python3.9/xml/etree/ElementTree.py”, line 1298, in feed
self._parser.feed(data)
xml.etree.ElementTree.ParseError: not well-formed (invalid token): line 27617, column 15
Please let me know how to resolve this issue. Thanks a lot.
Regards
Anustup Mukherjee