Matplotlib created a temporary config/cache directory at /tmp/matplotlib-eef5z0rm 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 'tetragonal' is not interpreted for space group Spacegroup(85, setting=1). This may result in wrong setting! warnings.warn( /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/OLSN88.cif-QuantumEspresso-tburrow-20240122-110152/OLSN88.cif INFO: supercell = [1 1 1] INFO: kpoints = [3 3 3] INFO: kpts_density= 2808 INFO: directory = /var/www/html/data/material_modeling/OLSN88.cif-QuantumEspresso-tburrow-20240122-110152/ INFO: C48H40Cl10O2P2U2 Bravais lattive: TET(a=13.1905, c=7.5128); Spacegroup: P 4/n (85) INFO: Creating calculator QUANTUMESPRESSO INFO: Starting computations in file:///var/www/html/data/material_modeling/OLSN88.cif-QuantumEspresso-tburrow-20240122-110152/ [Mon Jan 22 11:01:56 2024] INFO: Computing ground state. INFO: Computing electronic density of states. INFO: Computing electronic band structure along BZ path. INFO: Saving results into file:///var/www/html/data/material_modeling/OLSN88.cif-QuantumEspresso-tburrow-20240122-110152/ [Mon Jan 22 11:41:09 2024]