Matplotlib created a temporary config/cache directory at /tmp/matplotlib-0vc0cqrf 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/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/MoS2_OCD_9007660.cif
INFO: supercell   = [2 2 2]
INFO: kpoints     = [3 3 3]
INFO: kpts_density= 1296
INFO: directory   = /var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/
INFO: Mo2S4 Bravais lattive: HEX(a=3.161, c=12.295); Spacegroup: C c (9)
INFO: Creating calculator QUANTUMESPRESSO
INFO: Starting computations in file:///var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/ [Thu Sep 28 15:09:43 2023]
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.
WARNING: ERROR Resizing band structure (3D Monkhorst Pack). Ignoring.
Frequencies shape=(1, 5500, 31) -> [10, 10, 10, 31]
cannot reshape array of size 170500 into shape (10,10,10,31)
INFO: Computing phonon density of states (small displacement method, Phonopy).
[Phonopy] Atomic displacements:
[Phonopy] 0 [0.01, 0.0, 0.0]
[Phonopy] 0 [-0.01, 0.0, 0.0]
[Phonopy] 0 [-0.004999999999999998, 0.008660254037844388, 0.0]
[Phonopy] 0 [0.004999999999999998, -0.008660254037844388, 0.0]
[Phonopy] 0 [0.0, 0.0, 0.01]
[Phonopy] 0 [0.0, 0.0, -0.01]
[Phonopy] 16 [0.01, 0.0, 0.0]
[Phonopy] 16 [-0.01, 0.0, 0.0]
[Phonopy] 16 [-0.004999999999999998, 0.008660254037844388, 0.0]
[Phonopy] 16 [0.004999999999999998, -0.008660254037844388, 0.0]
[Phonopy] 16 [0.0, 0.0, 0.01]
[Phonopy] 16 [0.0, 0.0, -0.01]
[Phonopy] 32 [0.01, 0.0, 0.0]
[Phonopy] 32 [-0.01, 0.0, 0.0]
[Phonopy] 32 [-0.004999999999999998, 0.008660254037844388, 0.0]
[Phonopy] 32 [0.004999999999999998, -0.008660254037844388, 0.0]
[Phonopy] 32 [0.0, 0.0, 0.01]
[Phonopy] 32 [0.0, 0.0, -0.01]
[Phonopy] Computing force constants
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0000.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0001.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0002.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0003.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0004.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0005.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0006.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0007.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0008.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0009.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0010.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0011.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0012.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0013.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0014.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0015.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0016.npy'
[Phonopy] Computing '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-sets/sc-0017.npy'
[Phonopy] Building force constants matrix
Max drift of force constants: 1.881208 (zz) 0.000000 (xz)
Max drift after symmetrization by translation: 0.048476 (xz) 0.048476 (xz)
[Phonopy] Writing force constants to '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-constants.npy'

[Phonopy] Phonon frequencies at Gamma:
[Phonopy]   1:   -1.73599 THz
[Phonopy]   2:   -1.67251 THz
[Phonopy]   3:   -0.29149 THz
[Phonopy]   4:   -0.02094 THz
[Phonopy]   5:   -0.00483 THz
[Phonopy]   6:    0.11645 THz
[Phonopy]   7:    8.37095 THz
[Phonopy]   8:    8.37230 THz
[Phonopy]   9:    8.52999 THz
[Phonopy]  10:    8.53063 THz
[Phonopy]  11:   11.82677 THz
[Phonopy]  12:   11.82885 THz
[Phonopy]  13:   11.99257 THz
[Phonopy]  14:   11.99730 THz
[Phonopy]  15:   12.73956 THz
[Phonopy]  16:   12.78365 THz
[Phonopy]  17:   14.77694 THz
[Phonopy]  18:   15.12285 THz
INFO: Computing phonon dispersion along BZ path (small displacement method, Phonopy).
[Phonopy] Atomic displacements:
[Phonopy] 0 [0.01, 0.0, 0.0]
[Phonopy] 0 [-0.01, 0.0, 0.0]
[Phonopy] 0 [-0.004999999999999998, 0.008660254037844388, 0.0]
[Phonopy] 0 [0.004999999999999998, -0.008660254037844388, 0.0]
[Phonopy] 0 [0.0, 0.0, 0.01]
[Phonopy] 0 [0.0, 0.0, -0.01]
[Phonopy] 16 [0.01, 0.0, 0.0]
[Phonopy] 16 [-0.01, 0.0, 0.0]
[Phonopy] 16 [-0.004999999999999998, 0.008660254037844388, 0.0]
[Phonopy] 16 [0.004999999999999998, -0.008660254037844388, 0.0]
[Phonopy] 16 [0.0, 0.0, 0.01]
[Phonopy] 16 [0.0, 0.0, -0.01]
[Phonopy] 32 [0.01, 0.0, 0.0]
[Phonopy] 32 [-0.01, 0.0, 0.0]
[Phonopy] 32 [-0.004999999999999998, 0.008660254037844388, 0.0]
[Phonopy] 32 [0.004999999999999998, -0.008660254037844388, 0.0]
[Phonopy] 32 [0.0, 0.0, 0.01]
[Phonopy] 32 [0.0, 0.0, -0.01]
[Phonopy] Reading force constants from '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/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] 0 [-0.01, 0.0, 0.0]
[Phonopy] 0 [-0.004999999999999998, 0.008660254037844388, 0.0]
[Phonopy] 0 [0.004999999999999998, -0.008660254037844388, 0.0]
[Phonopy] 0 [0.0, 0.0, 0.01]
[Phonopy] 0 [0.0, 0.0, -0.01]
[Phonopy] 16 [0.01, 0.0, 0.0]
[Phonopy] 16 [-0.01, 0.0, 0.0]
[Phonopy] 16 [-0.004999999999999998, 0.008660254037844388, 0.0]
[Phonopy] 16 [0.004999999999999998, -0.008660254037844388, 0.0]
[Phonopy] 16 [0.0, 0.0, 0.01]
[Phonopy] 16 [0.0, 0.0, -0.01]
[Phonopy] 32 [0.01, 0.0, 0.0]
[Phonopy] 32 [-0.01, 0.0, 0.0]
[Phonopy] 32 [-0.004999999999999998, 0.008660254037844388, 0.0]
[Phonopy] 32 [0.004999999999999998, -0.008660254037844388, 0.0]
[Phonopy] 32 [0.0, 0.0, 0.01]
[Phonopy] 32 [0.0, 0.0, -0.01]
[Phonopy] Reading force constants from '/var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/force-constants.npy'
INFO: Saving results into file:///var/www/html/data/material_modeling/MoS2_OCD_9007660.cif-QuantumEspresso-paveldudin-20230928-150940/ [Thu Sep 28 17:18:19 2023]