Matplotlib created a temporary config/cache directory at /tmp/matplotlib-j3nzet0g 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(225, 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/Al.cif-QuantumEspresso-farhie-20230908-111713/Al.cif INFO: supercell = [2 2 2] INFO: kpoints = [4 4 4] INFO: kpts_density= 2048 INFO: directory = /var/www/html/data/material_modeling/Al.cif-QuantumEspresso-farhie-20230908-111713/ INFO: Al4 Bravais lattive: CUB(a=4.0339); Spacegroup: F m -3 m (225) INFO: Creating calculator QUANTUMESPRESSO Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL INFO: Starting computations in file:///var/www/html/data/material_modeling/Al.cif-QuantumEspresso-farhie-20230908-111713/ [Fri Sep 8 11:17:16 2023] INFO: Computing ground state. INFO: Computing electronic density of states. Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL INFO: Computing electronic band structure along BZ path. Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL INFO: Computing electronic band structure 3D grid. Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL INFO: Computing phonon density of states (small displacement method, Phonopy). [Phonopy] Atomic displacements: [Phonopy] 0 [0.01, 0.0, 0.0] [Phonopy] Computing force constants [Phonopy] Computing '/var/www/html/data/material_modeling/Al.cif-QuantumEspresso-farhie-20230908-111713/force-sets/sc-0000.npy' [Phonopy] Building force constants matrix Max drift of force constants: 0.000000 (zz) 0.000000 (yy) Max drift after symmetrization by translation: 0.000000 (xx) 0.000000 (xx) [Phonopy] Writing force constants to '/var/www/html/data/material_modeling/Al.cif-QuantumEspresso-farhie-20230908-111713/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: 5.76755 THz [Phonopy] 5: 5.76755 THz [Phonopy] 6: 5.76755 THz [Phonopy] 7: 5.76755 THz [Phonopy] 8: 5.76755 THz [Phonopy] 9: 5.76755 THz [Phonopy] 10: 10.39058 THz [Phonopy] 11: 10.39058 THz [Phonopy] 12: 10.39058 THz Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL INFO: Computing phonon dispersion along BZ path (small displacement method, Phonopy). [Phonopy] Atomic displacements: [Phonopy] 0 [0.01, 0.0, 0.0] [Phonopy] Reading force constants from '/var/www/html/data/material_modeling/Al.cif-QuantumEspresso-farhie-20230908-111713/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] Reading force constants from '/var/www/html/data/material_modeling/Al.cif-QuantumEspresso-farhie-20230908-111713/force-constants.npy' INFO: Saving results into file:///var/www/html/data/material_modeling/Al.cif-QuantumEspresso-farhie-20230908-111713/ [Fri Sep 8 11:18:06 2023]