/usr/lib/python3/dist-packages/ase/io/cif.py:408: UserWarning: crystal system 'cubic' is not interpreted for space group Spacegroup(225, setting=1). This may result in wrong setting!
  warnings.warn(
INFO: Reading configuration file /var/lib/material-modelling/data/Al.cif-QuantumEspresso-farhi_test-20261010-155744/config.toml.
INFO: Creating lattice/cell object from /var/lib/material-modelling/data/Al.cif-QuantumEspresso-farhi_test-20261010-155744/Al.cif [Sat Oct 10 15:57:45 2026]
INFO: supercell   = [2 2 2]
INFO: kpoints     = [4 4 4]
INFO: kpts_density= 2048
INFO: directory   = /var/lib/material-modelling/data/Al.cif-QuantumEspresso-farhi_test-20261010-155744
INFO: Al4 Bravais lattice: CUB(a=4.0339); Spacegroup: F m -3 m (225)
INFO: Starting computations in file:///var/lib/material-modelling/data/Al.cif-QuantumEspresso-farhi_test-20261010-155744 [Sat Oct 10 15:57:45 2026]
INFO: Using calculator ESPRESSO.
INFO: Using kpoint [11 11 11]
INFO: Using kpoint [21 21 21]
INFO: Computing ground state [Sat Oct 10 15:57:45 2026]
INFO: Computing electronic density of states [Sat Oct 10 15:59:10 2026]
INFO: Computing electronic band structure 1d [Sat Oct 10 15:59:22 2026]
INFO: Al4: Ef=7.4892 eV. Gap=21.70 meV.
INFO: Computing electronic band structure 3d [Sat Oct 10 15:59:34 2026]
INFO: Al4: Ef=7.9112 eV. Gap=30.70 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/Al.cif-QuantumEspresso-farhi_test-20261010-155744 [Sat Oct 10 15:59:53 2026]
INFO: Report available at file:///var/lib/material-modelling/data/Al.cif-QuantumEspresso-farhi_test-20261010-155744/README.html