Matplotlib created a temporary config/cache directory at /tmp/matplotlib-x5nrkilv 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/TaS2_COD1537360.cif-QuantumEspresso-farhie-20250514-194244/config.toml. INFO: Creating lattice/cell object from /var/www/html/data/material-modeling/TaS2_COD1537360.cif-QuantumEspresso-farhie-20250514-194244/TaS2_COD1537360.cif. INFO: supercell = [2 2 2] INFO: kpoints = [4 4 4] INFO: kpts_density= 1536 INFO: directory = /var/www/html/data/material-modeling/TaS2_COD1537360.cif-QuantumEspresso-farhie-20250514-194244 INFO: S2Ta Bravais lattice: HEX(a=3.35, c=5.86); Spacegroup: C 2/m (12) INFO: Creating calculator QUANTUMESPRESSO. INFO: Starting computations in file:///var/www/html/data/material-modeling/TaS2_COD1537360.cif-QuantumEspresso-farhie-20250514-194244 [Wed May 14 19:42:47 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: S2Ta: Ef=10.8406 eV. Gap=0.50 meV. INFO: Computing electronic band structure 3d. INFO: S2Ta: Ef=10.7460 eV. Gap=6.60 meV. WARNING: Failed computing the 3d electronic band structure along BZ path. Ignoring. cannot reshape array of size 102187 into shape (11,11,11,17) INFO: Saving results into file:///var/www/html/data/material-modeling/TaS2_COD1537360.cif-QuantumEspresso-farhie-20250514-194244 [Wed May 14 19:43:55 2025] INFO: Report available at file:///var/www/html/data/material-modeling/TaS2_COD1537360.cif-QuantumEspresso-farhie-20250514-194244/README.html