Issue with Abacus TB2J calculation

[p7 idomeneo]

Hello, I've done non-SOC and SOC calculation by abacus,  and non-soc abacus2J calculation finished correctly , but for the SOC included calculations, I've met such error.

TB2J version 0.9.12.26
Copyright (C) 2018-2026  TB2J group.
This software is distributed with the 2-Clause BSD License, without any warranty. For more details, see the LICENSE file delivered with this software.


Traceback (most recent call last):
  File "~/pip/bin/abacus2J.py", line 8, in <module>
    sys.exit(run_abacus2J())
             ^^^^^^^^^^^^^^
  File "~/pip/lib/python3.11/site-packages/TB2J/scripts/abacus2J.py", line 41, in run_abacus2J
    gen_exchange_abacus(
  File "~/pip/lib/python3.11/site-packages/TB2J/interfaces/abacus/gen_exchange_abacus.py", line 42, in gen_exchange_abacus
    parser = AbacusParser(outpath=outpath, spin=None, binary=binary)
             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "~/pip/lib/python3.11/site-packages/HamiltonIO/abacus/abacus_wrapper.py", line 56, in __init__
    self.read_atoms()
  File "~/pip/lib/python3.11/site-packages/HamiltonIO/abacus/abacus_wrapper.py", line 82, in read_atoms
    self.atoms = read_abacus(path1)
                 ^^^^^^^^^^^^^^^^^^
  File "~/pip/lib/python3.11/site-packages/ase/utils/__init__.py", line 599, in iofunc
    obj = func(fd, *args, **kwargs)
          ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "~/pip/lib/python3.11/site-packages/HamiltonIO/abacus/stru_api.py", line 700, in read_abacus
    [line.split() for line in specie_pattern.search(contents).group(1).split("\n")]
                              ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'NoneType' object has no attribute 'group'

[Xu He]

Hello, 

Could you share the related files for debugging?  In principle this should not happen as the error message is when it is reading the structure file, which should be the same as the non-SOC calculation. 

You can also compare the two structure files and see if there is any difference. 

Best regards, 

HeXu

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