Matplotlib created a temporary config/cache directory at /tmp/matplotlib-5v0wxeda 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/MnSi.cif-QuantumEspresso-farhie-20230928-082548/MnSi.cif INFO: supercell = [2 2 2] INFO: kpoints = [3 3 3] INFO: kpts_density= 1728 INFO: directory = /var/www/html/data/material_modeling/MnSi.cif-QuantumEspresso-farhie-20230928-082548/ INFO: Mn4Si4 Bravais lattive: CUB(a=4.48425); Spacegroup: P 21 3 (198) INFO: Creating calculator QUANTUMESPRESSO INFO: Starting computations in file:///var/www/html/data/material_modeling/MnSi.cif-QuantumEspresso-farhie-20230928-082548/ [Thu Sep 28 08:25:51 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 Computing the band structure (3D Monkhorst Pack). Ignoring. cannot reshape array of size 68080 into shape (10,10,10,46) INFO: Saving results into file:///var/www/html/data/material_modeling/MnSi.cif-QuantumEspresso-farhie-20230928-082548/ [Thu Sep 28 08:35:08 2023]