Dear Transiesta/sisl user
I am trying to use sisl code to analyze the Transiesta obtained data, But
when I use this code the below error has appeared:
Traceback (most recent call last):
File "/share/apps/anaconda3/bin/sdata", line 11, in <module>
load_entry_point('sisl==0.9.5', 'console_scripts', 'sdata')()
File
"/share/apps/anaconda3/lib/python3.7/site-packages/sisl/utils/sdata.py",
line 122, in sdata
p.parse_args(argv, namespace=ns)
File "/share/apps/anaconda3/lib/python3.7/argparse.py", line 1749, in
parse_args
args, argv = self.parse_known_args(args, namespace)
File "/share/apps/anaconda3/lib/python3.7/argparse.py", line 1781, in
parse_known_args
namespace, args = self._parse_known_args(args, namespace)
File "/share/apps/anaconda3/lib/python3.7/argparse.py", line 1987, in
_parse_known_args
start_index = consume_optional(start_index)
File "/share/apps/anaconda3/lib/python3.7/argparse.py", line 1927, in
consume_optional
take_action(action, args, option_string)
File "/share/apps/anaconda3/lib/python3.7/argparse.py", line 1855, in
take_action
action(self, namespace, argument_values, option_string)
File "/share/apps/anaconda3/lib/python3.7/site-packages/sisl/io/xsf.py",
line 339, in __call__
vector = input_sile.read_data(*values, **d)
File
"/share/apps/anaconda3/lib/python3.7/site-packages/sisl/io/tbtrans/tbt.py",
line 1930, in read_data
val.append(self.vector_current(*args))
File
"/share/apps/anaconda3/lib/python3.7/site-packages/sisl/io/tbtrans/tbt.py",
line 1377, in vector_current
Jab = self.bond_current(elec, E, kavg, only=only)
File
"/share/apps/anaconda3/lib/python3.7/site-packages/sisl/io/tbtrans/tbt.py",
line 1187, in bond_current
Jij = self.orbital_current(elec, E, kavg, isc, only=only)
File
"/share/apps/anaconda3/lib/python3.7/site-packages/sisl/io/tbtrans/tbt.py",
line 1063, in orbital_current
J = self._sparse_data('J', elec, E, kavg, isc)
File
"/share/apps/anaconda3/lib/python3.7/site-packages/sisl/io/tbtrans/tbt.py",
line 865, in _sparse_data
rptr = np.insert(_a.cumsumi(self._value('n_col')), 0, 0)
File "/share/apps/anaconda3/lib/python3.7/site-packages/sisl/io/sile.py",
line 757, in _value
return self._variable(name, tree)[:]
File "/share/apps/anaconda3/lib/python3.7/site-packages/sisl/io/sile.py",
line 750, in _variable
return self._variables(self, name, tree=tree)
File "/share/apps/anaconda3/lib/python3.7/site-packages/sisl/io/sile.py",
line 763, in _variables
return n.variables[name]
KeyError: 'n_col'
Could you please help me to solve this issue?
Many thanks,
SH.
--
SIESTA is supported by the Spanish Research Agency (AEI) and by the European
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
