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Could you share the related files? |
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I am getting the following error when running siesta2j.py
'TB2J version 0.9.0.1
Copyright (C) 2018-2024 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.
Reading Siesta hamiltonian: colinear spin.
dep:0: SislDeprecation: Geometry.sc is deprecated; please use 'lattice' instead [>=0.15]
Traceback (most recent call last):
File "/home/liyenda/.local/bin/siesta2J.py", line 144, in
run_siesta2J()
File "/home/liyenda/.local/bin/siesta2J.py", line 125, in run_siesta2J
gen_exchange_siesta(
File "/home/liyenda/.local/lib/python3.12/site-packages/TB2J/manager.py", line 286, in gen_exchange_siesta
tbmodel_up = SislWrapper(H, spin=0, geom=geom)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/liyenda/.local/lib/python3.12/site-packages/TB2J/sisl_wrapper.py", line 35, in init
atomic_numbers.append(a.Z % 200)
~~~~^~~~~
TypeError: not all arguments converted during string formatting'
how can I solve this issue?
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