Matplotlib created a temporary config/cache directory at /tmp/matplotlib-kjp7h7e5 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-20230930-095251/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-20230930-095251/ 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-20230930-095251/ [Sat Sep 30 09:52:54 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: Could not build BZ cube. Frequencies are unordered. Ignoring. index 1 is out of bounds for axis 0 with size 1 INFO: Saving results into file:///var/www/html/data/material_modeling/MnSi.cif-QuantumEspresso-farhie-20230930-095251/ [Sat Sep 30 10:02:12 2023]