Hi, Simply do:
sdata por.TBT.nc --help and you'll see what commands are available. Please give back this command: sdata por.TBT.nc --info Den lør. 16. maj 2020 kl. 22.02 skrev shirin zandi < shirinzandi1...@gmail.com>: > Dear Nick, > > Thank you so much for your reply. After that I've got the following > error : > > No data has been collected in the arguments, nothing will be written, have > you forgotten arguments? > > > The command I have run is this : sdata por.TBT.nc <http://por.tbt.nc/> > --vector > vector_current elec_1 0.1 --out A1.xsf > > I know, the electrode name and energy range should be written in bond > currents command line, is it need something else? And generally from > where I can find a complete list of commands and their requirements which > can be done with sisl. I am really new in using sisl!!! > > > > Regards, > SH. > > On Sat, May 16, 2020 at 12:30 AM Nick Papior <nickpap...@gmail.com> wrote: > >> 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/) >> > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) > -- Kind regards Nick
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
