Matplotlib created a temporary config/cache directory at /tmp/matplotlib-zovpvd4d 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/PbTiO3.cif-QuantumEspresso-farhie-20241122-140358/PbTiO3.cif INFO: supercell = [2 2 2] INFO: kpoints = [3 3 3] INFO: kpts_density= 1080 INFO: directory = /var/www/html/data/material_modeling/PbTiO3.cif-QuantumEspresso-farhie-20241122-140358/ INFO: O3PbTi Bravais lattive: TET(a=3.895, c=4.171); Spacegroup: P 4 m m (99) INFO: Creating calculator QUANTUMESPRESSO INFO: Starting computations in file:///var/www/html/data/material_modeling/PbTiO3.cif-QuantumEspresso-farhie-20241122-140358/ [Fri Nov 22 14:04:01 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/PbTiO3.cif-QuantumEspresso-farhie-20241122-140358/ [Fri Nov 22 14:08:00 2024]