Matplotlib created a temporary config/cache directory at /tmp/matplotlib-29yh6yr5 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/io/cif.py:401: 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/www/html/data/material-modeling/Al.cif-QuantumEspresso-farhie-20250117-162148/config.toml. INFO: Creating lattice/cell object from /var/www/html/data/material-modeling/Al.cif-QuantumEspresso-farhie-20250117-162148/Al.cif. INFO: Primitive cell Al4 -> Al. INFO: supercell = [3 3 3] INFO: kpoints = [4 4 4] INFO: kpts_density= 1728 INFO: directory = /var/www/html/data/material-modeling/Al.cif-QuantumEspresso-farhie-20250117-162148/ INFO: Al Bravais lattice: FCC(a=4.0339); Spacegroup: F m -3 m (225) INFO: Creating calculator QUANTUMESPRESSO. INFO: Starting computations in file:///var/www/html/data/material-modeling/Al.cif-QuantumEspresso-farhie-20250117-162148/ [Fri Jan 17 16:21:51 2025] INFO: Computing ground state. INFO: Computing electronic density of states. INFO: Computing electronic band structure 1d. INFO: Computing electronic band structure 3d. INFO: Saving results into file:///var/www/html/data/material-modeling/Al.cif-QuantumEspresso-farhie-20250117-162148/ [Fri Jan 17 16:22:01 2025] INFO: Report available at file:///var/www/html/data/material-modeling/Al.cif-QuantumEspresso-farhie-20250117-162148//README.html