Matplotlib created a temporary config/cache directory at /tmp/matplotlib-v5xqvujy 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/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/Ge_mp-32_computed.cif-QuantumEspresso-com-ailes-20231003-165014/Ge_mp-32_computed.cif INFO: supercell = [2 2 2] INFO: kpoints = [4 4 4] INFO: kpts_density= 1024 INFO: directory = /var/www/html/data/material_modeling/Ge_mp-32_computed.cif-QuantumEspresso-com-ailes-20231003-165014/ INFO: Ge2 Bravais lattive: FCC(a=5.76286); Spacegroup: F d -3 m (227) 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/Ge_mp-32_computed.cif-QuantumEspresso-com-ailes-20231003-165014/ [Tue Oct 3 16:50:17 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/Ge_mp-32_computed.cif-QuantumEspresso-com-ailes-20231003-165014/force-sets/sc-0000.npy' [Phonopy] Building force constants matrix Max drift of force constants: 0.000000 (zz) 0.000000 (zz) Max drift after symmetrization by translation: 0.000000 (zz) 0.000000 (zz) [Phonopy] Writing force constants to '/var/www/html/data/material_modeling/Ge_mp-32_computed.cif-QuantumEspresso-com-ailes-20231003-165014/force-constants.npy' [Phonopy] Phonon frequencies at Gamma: [Phonopy] 1: -13.79680 THz [Phonopy] 2: -13.79680 THz [Phonopy] 3: -13.79680 THz [Phonopy] 4: -0.00000 THz [Phonopy] 5: -0.00000 THz [Phonopy] 6: -0.00000 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/Ge_mp-32_computed.cif-QuantumEspresso-com-ailes-20231003-165014/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/Ge_mp-32_computed.cif-QuantumEspresso-com-ailes-20231003-165014/force-constants.npy' INFO: Saving results into file:///var/www/html/data/material_modeling/Ge_mp-32_computed.cif-QuantumEspresso-com-ailes-20231003-165014/ [Tue Oct 3 16:52:47 2023]