Matplotlib created a temporary config/cache directory at /tmp/matplotlib-gtwxo_3y 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/1525236.cif-QuantumEspresso-farhie-20250526-165458/config.toml.
INFO: Creating lattice/cell object from /var/www/html/data/material-modeling/1525236.cif-QuantumEspresso-farhie-20250526-165458/1525236.cif.
INFO: supercell   = [2 2 2]
INFO: kpoints     = [4 4 4]
INFO: kpts_density= 1024
INFO: directory   = /var/www/html/data/material-modeling/1525236.cif-QuantumEspresso-farhie-20250526-165458
INFO: Cu2 Bravais lattice: HEX(a=2.612, c=4.231); Spacegroup: C m c m (63)
INFO: Creating calculator QUANTUMESPRESSO.
INFO: Starting computations in file:///var/www/html/data/material-modeling/1525236.cif-QuantumEspresso-farhie-20250526-165458 [Mon May 26 16:55:01 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: Cu2: Ef=11.2330 eV. Gap=21.50 meV.
INFO: Computing electronic band structure 3d.
INFO: Cu2: Ef=11.0596 eV. Gap=11.50 meV.
WARNING: Failed computing the 3d electronic band structure along BZ path. Ignoring.
cannot reshape array of size 49665 into shape (11,11,11,15)
INFO: Computing phonon density of states (small displacement method, Phonopy).
[Phonopy] Atomic displacements:
[Phonopy] 0 [-0.002626543778214794, 0.004549307272171947, 0.008509116941521287]
[Phonopy] 0 [0.002626543778214794, -0.004549307272171947, -0.008509116941521287]
[Phonopy] Computing force constants.
[Phonopy] Computing '/var/www/html/data/material-modeling/1525236.cif-QuantumEspresso-farhie-20250526-165458/force-sets/sc-0000.npy'
[Phonopy] Computing '/var/www/html/data/material-modeling/1525236.cif-QuantumEspresso-farhie-20250526-165458/force-sets/sc-0001.npy'
[Phonopy] Building force constants matrix.
Max drift of force constants: -0.000000 (xy) -0.000000 (zz)
Max drift after symmetrization by translation: -0.000000 (xx) -0.000000 (xx)
[Phonopy] Writing force constants to '/var/www/html/data/material-modeling/1525236.cif-QuantumEspresso-farhie-20250526-165458/force-constants.npy'

[Phonopy] Phonon frequencies at Gamma:
[Phonopy]   1:   -0.00000 THz    -0.00000 meV
[Phonopy]   2:   -0.00000 THz    -0.00000 meV
[Phonopy]   3:    0.00000 THz     0.00000 meV
[Phonopy]   4:   15.82793 THz    65.45904 meV
[Phonopy]   5:   18.06519 THz    74.71158 meV
[Phonopy]   6:   18.48003 THz    76.42723 meV
INFO: Computing phonon dispersion along BZ path 1d (small displacement method, Phonopy).
[Phonopy] Atomic displacements:
[Phonopy] 0 [-0.002626543778214794, 0.004549307272171947, 0.008509116941521287]
[Phonopy] 0 [0.002626543778214794, -0.004549307272171947, -0.008509116941521287]
[Phonopy] Reading force constants from '/var/www/html/data/material-modeling/1525236.cif-QuantumEspresso-farhie-20250526-165458/force-constants.npy'
WARNING: the phonon_band_structure_1d BZ special points ['G', 'A', 'H', 'K', 'L', 'M'] may be shifted wrt their real position along K-path.
/usr/bin/material-modeling:658: RuntimeWarning:

divide by zero encountered in log10

/usr/bin/material-modeling:437: RuntimeWarning:

invalid value encountered in scalar add

/usr/bin/material-modeling:438: RuntimeWarning:

invalid value encountered in scalar add

/usr/bin/material-modeling:710: RuntimeWarning:

divide by zero encountered in log10

INFO: Computing phonon dispersion along BZ path 3d (small displacement method, Phonopy).
[Phonopy] Atomic displacements:
[Phonopy] 0 [-0.002626543778214794, 0.004549307272171947, 0.008509116941521287]
[Phonopy] 0 [0.002626543778214794, -0.004549307272171947, -0.008509116941521287]
[Phonopy] Reading force constants from '/var/www/html/data/material-modeling/1525236.cif-QuantumEspresso-farhie-20250526-165458/force-constants.npy'
INFO: Saving results into file:///var/www/html/data/material-modeling/1525236.cif-QuantumEspresso-farhie-20250526-165458 [Mon May 26 16:56:16 2025]
INFO: Report available at file:///var/www/html/data/material-modeling/1525236.cif-QuantumEspresso-farhie-20250526-165458/README.html