Matplotlib created a temporary config/cache directory at /tmp/matplotlib-chrl6nik 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/SrTiO3.cif-QuantumEspresso-farhie-20250131-161126/config.toml.
INFO: Creating lattice/cell object from /var/www/html/data/material-modeling/SrTiO3.cif-QuantumEspresso-farhie-20250131-161126/SrTiO3.cif.
INFO: supercell   = [2 2 2]
INFO: kpoints     = [3 3 3]
INFO: kpts_density= 1080
INFO: directory   = /var/www/html/data/material-modeling/SrTiO3.cif-QuantumEspresso-farhie-20250131-161126/
INFO: O3SrTi Bravais lattice: CUB(a=3.905); Spacegroup: P m -3 m (221)
INFO: Creating calculator QUANTUMESPRESSO.
INFO: Starting computations in file:///var/www/html/data/material-modeling/SrTiO3.cif-QuantumEspresso-farhie-20250131-161126/ [Fri Jan 31 16:11:29 2025]
INFO: Computing ground state.
INFO: Computing electronic density of states.
INFO: Computing electronic band structure 1d.
INFO: O3SrTi: Ef=11.8444 eV. Gap=1629.60 meV.
INFO: Computing electronic band structure 3d.
INFO: O3SrTi: Ef=11.9068 eV. Gap=1897.20 meV.
INFO: Computing phonon density of states (small displacement method, Phonopy).
[Phonopy] Atomic displacements:
[Phonopy] 0 [0.01, 0.0, 0.0]
[Phonopy] 8 [0.01, 0.0, 0.0]
[Phonopy] 16 [0.007071067811865475, 0.0, 0.007071067811865475]
[Phonopy] Computing force constants.
[Phonopy] Computing '/var/www/html/data/material-modeling/SrTiO3.cif-QuantumEspresso-farhie-20250131-161126/force-sets/sc-0000.npy'
[Phonopy] Computing '/var/www/html/data/material-modeling/SrTiO3.cif-QuantumEspresso-farhie-20250131-161126/force-sets/sc-0001.npy'
[Phonopy] Computing '/var/www/html/data/material-modeling/SrTiO3.cif-QuantumEspresso-farhie-20250131-161126/force-sets/sc-0002.npy'
[Phonopy] Building force constants matrix.
Max drift of force constants: 3.235726 (yy) 0.000000 (xx)
Max drift after symmetrization by translation: 0.000000 (xx) 0.000000 (xx)
[Phonopy] Writing force constants to '/var/www/html/data/material-modeling/SrTiO3.cif-QuantumEspresso-farhie-20250131-161126/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:    1.97038 THz     8.14881 meV
[Phonopy]   5:    1.97038 THz     8.14881 meV
[Phonopy]   6:    1.97038 THz     8.14881 meV
[Phonopy]   7:    4.91695 THz    20.33485 meV
[Phonopy]   8:    4.91695 THz    20.33485 meV
[Phonopy]   9:    4.91695 THz    20.33485 meV
[Phonopy]  10:    5.49078 THz    22.70803 meV
[Phonopy]  11:    5.49078 THz    22.70803 meV
[Phonopy]  12:    5.49078 THz    22.70803 meV
[Phonopy]  13:   16.32804 THz    67.52731 meV
[Phonopy]  14:   16.32804 THz    67.52731 meV
[Phonopy]  15:   16.32804 THz    67.52731 meV
/usr/bin/material-modeling:607: RuntimeWarning:

divide by zero encountered in log10

INFO: Computing phonon dispersion along BZ path 1d (small displacement method, Phonopy).
[Phonopy] Atomic displacements:
[Phonopy] 0 [0.01, 0.0, 0.0]
[Phonopy] 8 [0.01, 0.0, 0.0]
[Phonopy] 16 [0.007071067811865475, 0.0, 0.007071067811865475]
[Phonopy] Reading force constants from '/var/www/html/data/material-modeling/SrTiO3.cif-QuantumEspresso-farhie-20250131-161126/force-constants.npy'
/usr/bin/material-modeling:558: RuntimeWarning:

divide by zero encountered in log10

/usr/bin/material-modeling:382: RuntimeWarning:

invalid value encountered in scalar add

/usr/bin/material-modeling:383: RuntimeWarning:

invalid value encountered in scalar add

INFO: Computing phonon dispersion along BZ path 3d (small displacement method, Phonopy).
[Phonopy] Atomic displacements:
[Phonopy] 0 [0.01, 0.0, 0.0]
[Phonopy] 8 [0.01, 0.0, 0.0]
[Phonopy] 16 [0.007071067811865475, 0.0, 0.007071067811865475]
[Phonopy] Reading force constants from '/var/www/html/data/material-modeling/SrTiO3.cif-QuantumEspresso-farhie-20250131-161126/force-constants.npy'
INFO: Saving results into file:///var/www/html/data/material-modeling/SrTiO3.cif-QuantumEspresso-farhie-20250131-161126/ [Fri Jan 31 16:17:13 2025]
INFO: Report available at file:///var/www/html/data/material-modeling/SrTiO3.cif-QuantumEspresso-farhie-20250131-161126//README.html