/usr/lib/python3/dist-packages/ase/io/cif.py:408: UserWarning: crystal system 'cubic' is not interpreted for space group Spacegroup(221, setting=1). This may result in wrong setting!
  warnings.warn(
INFO: Reading configuration file /var/lib/material-modelling/data/LaB6.cif-QuantumEspresso-farhi-20261009-091853/config.toml.
INFO: Creating lattice/cell object from /var/lib/material-modelling/data/LaB6.cif-QuantumEspresso-farhi-20261009-091853/LaB6.cif [Fri Oct  9 09:18:54 2026]
INFO: supercell   = [2 2 2]
INFO: kpoints     = [3 3 3]
INFO: kpts_density= 1512
INFO: directory   = /var/lib/material-modelling/data/LaB6.cif-QuantumEspresso-farhi-20261009-091853
INFO: B6La Bravais lattice: CUB(a=4.157); Spacegroup: P m -3 m (221)
INFO: Starting computations in file:///var/lib/material-modelling/data/LaB6.cif-QuantumEspresso-farhi-20261009-091853 [Fri Oct  9 09:18:54 2026]
INFO: Using calculator ESPRESSO.
INFO: Using kpoint [11 11 11]
INFO: Using kpoint [21 21 21]
INFO: Computing ground state [Fri Oct  9 09:18:55 2026]
INFO: Computing electronic density of states [Fri Oct  9 09:21:28 2026]
INFO: Computing electronic band structure 1d [Fri Oct  9 09:22:45 2026]
INFO: B6La: Ef=12.3187 eV. Gap=2.70 meV.
INFO: Computing electronic band structure 3d [Fri Oct  9 09:36:23 2026]
INFO: B6La: Ef=12.1853 eV. Gap=61.30 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/LaB6.cif-QuantumEspresso-farhi-20261009-091853 [Fri Oct  9 10:23:13 2026]
INFO: Report available at file:///var/lib/material-modelling/data/LaB6.cif-QuantumEspresso-farhi-20261009-091853/README.html