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I am trying to calculate the effective mass from the Octopus output.
However, when I tried to use the outputs obtained from the Octopus tutorial, I obtained the following error.
File "/<path>/octopuspy/info.py", line 74, in get_lattice_vectors
index = self._info.index(match)
^^^^^^^^^^^^^^^^^^^^^^^
ValueError: ' Lattice Vectors [A]' is not in list
I checked with less and indeed did not find "Lattice Vectors [A]" in the info file.
("UnitsOutput = eV_Angstrom" was added to inp and we have confirmed that Lattice Vectors [A] is output to standard output.)
I would like to compare the input files, so could you please show me the inp when you get the tests/data_octopus.
Or could you tell me how to get "Lattice Vectors [A]" to show up in info?
Sincerely,
TS
The text was updated successfully, but these errors were encountered:
Thank you for sharing the link to the input file.
This is exactly the data I was hoping to reference.
Also, thank you again for allowing us to use your wonderful program.
Hello @afatt,
I am trying to calculate the effective mass from the Octopus output.
However, when I tried to use the outputs obtained from the Octopus tutorial, I obtained the following error.
I checked with less and indeed did not find "Lattice Vectors [A]" in the info file.
("UnitsOutput = eV_Angstrom" was added to inp and we have confirmed that Lattice Vectors [A] is output to standard output.)
I would like to compare the input files, so could you please show me the inp when you get the tests/data_octopus.
Or could you tell me how to get "Lattice Vectors [A]" to show up in info?
Sincerely,
TS
The text was updated successfully, but these errors were encountered: