Hi,
You probably haven't calculated bond currents. Please check your tbtrans
input options.
/ Nick
On Thu, 14 May 2020, 22:13 shirin zandi, <shirinzandi1...@gmail.com> wrote:
> 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/)
>
--
SIESTA is supported by the Spanish Research Agency (AEI) and by the European
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
