Matplotlib created a temporary config/cache directory at /tmp/matplotlib-cfqymgsx 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/Mo2S4.cif-QuantumEspresso-farhie-20230929-100541/Mo2S4.cif INFO: supercell = [2 2 2] INFO: kpoints = [3 3 3] INFO: kpts_density= 1296 INFO: directory = /var/www/html/data/material_modeling/Mo2S4.cif-QuantumEspresso-farhie-20230929-100541/ INFO: Mo2S4 Bravais lattive: HEX(a=3.161, c=12.295); Spacegroup: C c (9) INFO: Creating calculator QUANTUMESPRESSO INFO: Starting computations in file:///var/www/html/data/material_modeling/Mo2S4.cif-QuantumEspresso-farhie-20230929-100541/ [Fri Sep 29 10:05:44 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. WARNING: ERROR Resizing band structure (3D Monkhorst Pack). Ignoring. Frequencies shape=(1, 5500, 31) -> [10, 10, 10, 31] cannot reshape array of size 170500 into shape (10,10,10,31) INFO: Saving results into file:///var/www/html/data/material_modeling/Mo2S4.cif-QuantumEspresso-farhie-20230929-100541/ [Fri Sep 29 10:22:20 2023]