amset deform read --symprec N --bands 71:74 sample-000/ sample-001/ sample-002/ sample-003/ sample-004/ sample-005/ sample-006/ sample-007/ sample-008/ sample-009/ sample-010/ sample-011/ sample-012/
/Users/nitje08/anaconda3/lib/python3.10/site-packages/numba/core/decorators.py:262: NumbaDeprecationWarning: numba.generated_jit is deprecated. Please see the documentation at: Deprecation Notices — Numba 0+untagged.4124.gd4460fe.dirty documentation for more information and advice on a suitable replacement.
warnings.warn(msg, NumbaDeprecationWarning)
Reading bulk (undeformed) calculation
Reading deformation calculation in sample-001/
Reading deformation calculation in sample-002/
Reading deformation calculation in sample-003/
Reading deformation calculation in sample-004/
Reading deformation calculation in sample-005/
Reading deformation calculation in sample-006/
Reading deformation calculation in sample-007/
Reading deformation calculation in sample-008/
Reading deformation calculation in sample-009/
Reading deformation calculation in sample-010/
Reading deformation calculation in sample-011/
Reading deformation calculation in sample-012/
Traceback (most recent call last):
File “/Users/nitje08/anaconda3/bin/amset”, line 8, in
sys.exit(cli())
File “/Users/nitje08/anaconda3/lib/python3.10/site-packages/click/core.py”, line 1128, in call
return self.main(*args, **kwargs)
File “/Users/nitje08/anaconda3/lib/python3.10/site-packages/click/core.py”, line 1053, in main
rv = self.invoke(ctx)
File “/Users/nitje08/anaconda3/lib/python3.10/site-packages/click/core.py”, line 1659, in invoke
return _process_result(sub_ctx.command.invoke(sub_ctx))
File “/Users/nitje08/anaconda3/lib/python3.10/site-packages/click/core.py”, line 1659, in invoke
return _process_result(sub_ctx.command.invoke(sub_ctx))
File “/Users/nitje08/anaconda3/lib/python3.10/site-packages/click/core.py”, line 1395, in invoke
return ctx.invoke(self.callback, **ctx.params)
File “/Users/nitje08/anaconda3/lib/python3.10/site-packages/click/core.py”, line 754, in invoke
return __callback(*args, **kwargs)
File “/Users/nitje08/anaconda3/lib/python3.10/site-packages/amset/tools/deformation.py”, line 188, in read
strain_mapping = get_strain_mapping(bulk_structure, deformation_calculations)
File “/Users/nitje08/anaconda3/lib/python3.10/site-packages/amset/deformation/potentials.py”, line 57, in get_strain_mapping
strain_mapping[strain] = calc
File “/Users/nitje08/anaconda3/lib/python3.10/site-packages/pymatgen/core/tensors.py”, line 1049, in setitem
index = self._get_item_index(key)
File “/Users/nitje08/anaconda3/lib/python3.10/site-packages/pymatgen/core/tensors.py”, line 1090, in _get_item_index
raise ValueError(“Tensor key collision.”)
ValueError: Tensor key collision.