[ase-users] error reading cif files

[Lars Grabow]

Hi,

I'm trying to read the attached cif file, which I downloaded from http://www.iza-structure.org/databases/ in ASE (revision 2257). The error message that I get is this one:

Traceback (most recent call last):
  File "/Users/grabow/lib/python/ase/ase/gui/ag.py", line 117, in main
    run(opt, args)
  File "/Users/grabow/lib/python/ase/ase/gui/ag.py", line 80, in run
    images.read(args, string2index(opt.image_number))
  File "/Users/grabow/lib/python/ase/ase/gui/images.py", line 140, in read
    i = read(filename, index)
  File "/Users/grabow/lib/python/ase/ase/io/__init__.py", line 158, in read
    return read_cif(filename, index)
  File "/Users/grabow/lib/python/ase/ase/io/cif.py", line 273, in read_cif
    atoms = tags2atoms(tags)
  File "/Users/grabow/lib/python/ase/ase/io/cif.py", line 228, in tags2atoms
    sitesym=sitesym)
  File "/Users/grabow/lib/python/ase/ase/lattice/spacegroup/spacegroup.py", line 673, in spacegroup_from_data
    spg._rotations, spg._translations = parse_sitesym(sitesym)
  File "/Users/grabow/lib/python/ase/ase/lattice/spacegroup/spacegroup.py", line 628, in parse_sitesym
    if p[n] == '-':
IndexError: string index out of range

An exception occurred!  Please report the issue to
ase-developers at listserv.fysik.dtu.dk - thanks!  Please also report this if
it was a user error, so that a better error message can be provided
next time.

Does anyone know how this can be fixed?
Thanks!
Lars


 

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