/usr/lib/python3/dist-packages/ase/io/cif.py:408: UserWarning: crystal system 'hexagonal' is not interpreted for space group Spacegroup(194, setting=1). This may result in wrong setting!
  warnings.warn(
INFO: Reading configuration file /var/lib/material-modelling/data/1010291.cif-QuantumEspresso-farhi-20261020-024359/config.toml.
INFO: Using material-modelling 26.10.19
INFO: Creating lattice/cell object from /var/lib/material-modelling/data/1010291.cif-QuantumEspresso-farhi-20261020-024359/1010291.cif [Tue Oct 20 02:44:00 2026]
INFO: supercell   = [2 2 2]
INFO: kpoints     = [3 3 3]
INFO: kpts_density= 1728
INFO: directory   = /var/lib/material-modelling/data/1010291.cif-QuantumEspresso-farhi-20261020-024359
INFO: Bi2Na6 Bravais lattice: HEX(a=5.448, c=9.655); Spacegroup: C m c m (63)
INFO: Estimated ~4647 G-vectors at ecut=408.2 eV (V=1674.8 bohr^3). Max 46 MPI procs/pool for >= 100 G-vectors/proc.
INFO: limiting MPI from 128 to 46 processes (>=100 G-vectors/proc)
INFO: Starting computations in file:///var/lib/material-modelling/data/1010291.cif-QuantumEspresso-farhi-20261020-024359 [Tue Oct 20 02:44:00 2026]
INFO: Using calculator ESPRESSO.
INFO: Using kpoint [11 11 11]
INFO: Using kpoint [21 21 21]
INFO: Computing ground state [Tue Oct 20 02:44:01 2026]
INFO: Computing electronic density of states [Tue Oct 20 02:44:36 2026]
INFO: Computing electronic band structure 1d [Tue Oct 20 02:44:55 2026]
INFO: Bi2Na6: Ef=3.9448 eV. Gap=46.40 meV.
INFO: Computing electronic band structure 3d [Tue Oct 20 02:46:09 2026]
INFO: Bi2Na6: Ef=3.8988 eV. Gap=91.40 meV.
/usr/lib/python3/dist-packages/ase/dft/kpoints.py:405: UserWarning:

Please do not use (kpts, x, X) = bandpath(...).  Use path = bandpath(...) and then kpts = path.kpts and (x, X, labels) = path.get_linear_kpoint_axis().

INFO: Saving results into file:///var/lib/material-modelling/data/1010291.cif-QuantumEspresso-farhi-20261020-024359 [Tue Oct 20 02:49:54 2026]
INFO: Report available at file:///var/lib/material-modelling/data/1010291.cif-QuantumEspresso-farhi-20261020-024359/README.html