Matplotlib created a temporary config/cache directory at /tmp/matplotlib-055g_l3p 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. INFO: Reading configuration file /var/www/html/data/material-modeling/1530016.cif-QuantumEspresso-farhie-20250515-074522/config.toml. INFO: Creating lattice/cell object from /var/www/html/data/material-modeling/1530016.cif-QuantumEspresso-farhie-20250515-074522/1530016.cif. INFO: supercell = [2 2 2] INFO: kpoints = [3 3 3] INFO: kpts_density= 1296 INFO: directory = /var/www/html/data/material-modeling/1530016.cif-QuantumEspresso-farhie-20250515-074522 INFO: S4Ta2 Bravais lattice: HEX(a=3.336, c=18.18); Spacegroup: C m c m (63) INFO: Creating calculator QUANTUMESPRESSO. INFO: Starting computations in file:///var/www/html/data/material-modeling/1530016.cif-QuantumEspresso-farhie-20250515-074522 [Thu May 15 07:45:25 2025] INFO: Computing ground state. INFO: Computing electronic density of states. /usr/lib/python3/dist-packages/plotly/matplotlylib/mpltools.py:460: UserWarning: 'linear' x-axis tick spacing not even, ignoring mpl tick formatting. /usr/lib/python3/dist-packages/plotly/matplotlylib/mplexporter/exporter.py:87: UserWarning: Blended transforms not yet supported. Zoom behavior may not work as expected. /usr/lib/python3/dist-packages/plotly/matplotlylib/renderer.py:510: UserWarning: Bummer! Plotly can currently only draw Line2D objects from matplotlib that are in 'data' coordinates! /usr/lib/python3/dist-packages/plotly/matplotlylib/renderer.py:612: UserWarning: I found a path object that I don't think is part of a bar chart. Ignoring. INFO: Computing electronic band structure 1d. INFO: S4Ta2: Ef=4.7537 eV. Gap=13.00 meV. INFO: Computing electronic band structure 3d. INFO: S4Ta2: Ef=4.3472 eV. Gap=207.30 meV. WARNING: Failed computing the 3d electronic band structure along BZ path. Ignoring. cannot reshape array of size 99330 into shape (11,11,11,30) INFO: Saving results into file:///var/www/html/data/material-modeling/1530016.cif-QuantumEspresso-farhie-20250515-074522 [Thu May 15 08:02:36 2025] INFO: Report available at file:///var/www/html/data/material-modeling/1530016.cif-QuantumEspresso-farhie-20250515-074522/README.html