Matplotlib created a temporary config/cache directory at /tmp/matplotlib-uao9xlz0 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/BaFe2S3.cif-QuantumEspresso-farhie-20231002-114343/BaFe2S3.cif INFO: supercell = [1 1 1] INFO: kpoints = [4 4 4] INFO: kpts_density= 1536 INFO: directory = /var/www/html/data/material_modeling/BaFe2S3.cif-QuantumEspresso-farhie-20231002-114343/ INFO: Ba4Fe8S12 Bravais lattive: ORC(a=5.16512, b=8.75324, c=10.7473); Spacegroup: C m c m (63) INFO: Creating calculator QUANTUMESPRESSO INFO: Starting computations in file:///var/www/html/data/material_modeling/BaFe2S3.cif-QuantumEspresso-farhie-20231002-114343/ [Mon Oct 2 11:43:45 2023] 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/BaFe2S3.cif-QuantumEspresso-farhie-20231002-114343/ [Mon Oct 2 20:00:38 2023]