Matplotlib created a temporary config/cache directory at /tmp/matplotlib-blim7mcy because the default path (/var/www/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. /usr/lib/python3/dist-packages/ase/utils/__init__.py:62: FutureWarning: Please use atoms.cell.reciprocal() warnings.warn(warning) INFO: Creating lattice/cell object from /var/www/html/data/material_modeling/Mn2O3_Ia-3.cif-QuantumEspresso-rueff-20241108-090840/Mn2O3_Ia-3.cif INFO: supercell = [1 1 1] INFO: kpoints = [3 3 3] INFO: kpts_density= 2160 INFO: directory = /var/www/html/data/material_modeling/Mn2O3_Ia-3.cif-QuantumEspresso-rueff-20241108-090840/ INFO: Mn32O48 Bravais lattive: CUB(a=9.41962); Spacegroup: I a -3 (206) INFO: Creating calculator QUANTUMESPRESSO INFO: Starting computations in file:///var/www/html/data/material_modeling/Mn2O3_Ia-3.cif-QuantumEspresso-rueff-20241108-090840/ [Fri Nov 8 09:08:43 2024] INFO: Computing ground state. INFO: Computing electronic density of states. INFO: Computing electronic band structure along BZ path. INFO: Computing electronic band structure 3D grid. INFO: Saving results into file:///var/www/html/data/material_modeling/Mn2O3_Ia-3.cif-QuantumEspresso-rueff-20241108-090840/ [Mon Nov 11 19:56:28 2024]