Matplotlib created a temporary config/cache directory at /tmp/matplotlib-tmofqiti 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/io/cif.py:401: UserWarning: crystal system 'cubic' is not interpreted for space group Spacegroup(221, setting=1). This may result in wrong setting!
  warnings.warn(
/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/10000571.cif-QuantumEspresso-farhie-20241030-132252/10000571.cif
INFO: supercell   = [2 2 2]
INFO: kpoints     = [3 3 3]
INFO: kpts_density= 1512
INFO: directory   = /var/www/html/data/material_modeling/10000571.cif-QuantumEspresso-farhie-20241030-132252/
INFO: B6La Bravais lattive: CUB(a=4.157); Spacegroup: P m -3 m (221)
INFO: Creating calculator QUANTUMESPRESSO
INFO: Starting computations in file:///var/www/html/data/material_modeling/10000571.cif-QuantumEspresso-farhie-20241030-132252/ [Wed Oct 30 13:22:55 2024]
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.
INFO: Computing phonon density of states (small displacement method, Phonopy).
[Phonopy] Atomic displacements:
[Phonopy] 0 [0.01, 0.0, 0.0]
[Phonopy] 8 [0.007071067811865475, 0.007071067811865475, 0.0]
[Phonopy] 8 [-0.007071067811865475, -0.007071067811865475, 0.0]
[Phonopy] Computing force constants
[Phonopy] Computing '/var/www/html/data/material_modeling/10000571.cif-QuantumEspresso-farhie-20241030-132252/force-sets/sc-0000.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/10000571.cif-QuantumEspresso-farhie-20241030-132252/force-sets/sc-0001.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/10000571.cif-QuantumEspresso-farhie-20241030-132252/force-sets/sc-0002.npy'
[Phonopy] Building force constants matrix
Max drift of force constants: 2.732068 (zz) -0.000000 (xx)
Max drift after symmetrization by translation: -0.000000 (yz) -0.000000 (yz)
[Phonopy] Writing force constants to '/var/www/html/data/material_modeling/10000571.cif-QuantumEspresso-farhie-20241030-132252/force-constants.npy'

[Phonopy] Phonon frequencies at Gamma:
[Phonopy]   1:   -0.00000 THz
[Phonopy]   2:   -0.00000 THz
[Phonopy]   3:    0.00000 THz
[Phonopy]   4:    5.39051 THz
[Phonopy]   5:    5.39051 THz
[Phonopy]   6:    5.39051 THz
[Phonopy]   7:   15.63328 THz
[Phonopy]   8:   15.63328 THz
[Phonopy]   9:   15.63328 THz
[Phonopy]  10:   17.53576 THz
[Phonopy]  11:   17.53576 THz
[Phonopy]  12:   17.53576 THz
[Phonopy]  13:   19.46807 THz
[Phonopy]  14:   19.46807 THz
[Phonopy]  15:   19.46807 THz
[Phonopy]  16:   24.79225 THz
[Phonopy]  17:   24.79225 THz
[Phonopy]  18:   24.79225 THz
[Phonopy]  19:   35.56804 THz
[Phonopy]  20:   35.56804 THz
[Phonopy]  21:   39.00255 THz
INFO: Computing phonon dispersion along BZ path (small displacement method, Phonopy).
[Phonopy] Atomic displacements:
[Phonopy] 0 [0.01, 0.0, 0.0]
[Phonopy] 8 [0.007071067811865475, 0.007071067811865475, 0.0]
[Phonopy] 8 [-0.007071067811865475, -0.007071067811865475, 0.0]
[Phonopy] Reading force constants from '/var/www/html/data/material_modeling/10000571.cif-QuantumEspresso-farhie-20241030-132252/force-constants.npy'
INFO: Computing phonon dispersion in full BZ (small displacement method, Phonopy).
[Phonopy] Atomic displacements:
[Phonopy] 0 [0.01, 0.0, 0.0]
[Phonopy] 8 [0.007071067811865475, 0.007071067811865475, 0.0]
[Phonopy] 8 [-0.007071067811865475, -0.007071067811865475, 0.0]
[Phonopy] Reading force constants from '/var/www/html/data/material_modeling/10000571.cif-QuantumEspresso-farhie-20241030-132252/force-constants.npy'
INFO: Saving results into file:///var/www/html/data/material_modeling/10000571.cif-QuantumEspresso-farhie-20241030-132252/ [Wed Oct 30 13:31:26 2024]