Matplotlib created a temporary config/cache directory at /tmp/matplotlib-lx14d96v 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/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905/config.toml.
INFO: Creating lattice/cell object from /var/www/html/data/material-modeling/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905/WS2_mp-224_primitive.cif.
INFO: supercell   = [2 2 2]
INFO: kpoints     = [3 3 3]
INFO: kpts_density= 1296
INFO: directory   = /var/www/html/data/material-modeling/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905/
INFO: S4W2 Bravais lattice: HEX(a=3.19073, c=14.2024); Spacegroup: P 63/m m c (194)
INFO: Creating calculator QUANTUMESPRESSO.
INFO: Starting computations in file:///var/www/html/data/material-modeling/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905/ [Fri Jan 31 16:09:08 2025]
INFO: Computing ground state.
INFO: Computing electronic density of states.
INFO: Computing electronic band structure 1d.
INFO: S4W2: Ef=9.0544 eV. Gap=1568.50 meV.
INFO: Computing electronic band structure 3d.
INFO: S4W2: Ef=9.4159 eV. Gap=1608.00 meV.
INFO: Computing phonon density of states (small displacement method, Phonopy).
[Phonopy] Atomic displacements:
[Phonopy] 0 [0.0021919765956819603, 0.0, 0.009756804733312158]
[Phonopy] 16 [0.0021919765956819603, 0.0, 0.009756804733312158]
[Phonopy] 16 [-0.0021919765956819603, 0.0, -0.009756804733312158]
[Phonopy] Computing force constants.
[Phonopy] Computing '/var/www/html/data/material-modeling/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905/force-sets/sc-0000.npy'
[Phonopy] Computing '/var/www/html/data/material-modeling/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905/force-sets/sc-0001.npy'
[Phonopy] Computing '/var/www/html/data/material-modeling/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905/force-sets/sc-0002.npy'
[Phonopy] Building force constants matrix.
Max drift of force constants: -5.461369 (zz) -0.000000 (zz)
Max drift after symmetrization by translation: -0.000000 (xx) -0.000000 (xx)
[Phonopy] Writing force constants to '/var/www/html/data/material-modeling/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905/force-constants.npy'

[Phonopy] Phonon frequencies at Gamma:
[Phonopy]   1:   -1.93113 THz    -7.98652 meV
[Phonopy]   2:   -1.93113 THz    -7.98652 meV
[Phonopy]   3:   -1.72697 THz    -7.14217 meV
[Phonopy]   4:   -0.00000 THz    -0.00000 meV
[Phonopy]   5:   -0.00000 THz    -0.00000 meV
[Phonopy]   6:   -0.00000 THz    -0.00000 meV
[Phonopy]   7:    8.17640 THz    33.81487 meV
[Phonopy]   8:    8.17640 THz    33.81487 meV
[Phonopy]   9:    8.24473 THz    34.09745 meV
[Phonopy]  10:    8.24473 THz    34.09745 meV
[Phonopy]  11:    9.78372 THz    40.46221 meV
[Phonopy]  12:    9.78372 THz    40.46221 meV
[Phonopy]  13:   10.16305 THz    42.03099 meV
[Phonopy]  14:   10.16305 THz    42.03099 meV
[Phonopy]  15:   11.87225 THz    49.09966 meV
[Phonopy]  16:   12.70764 THz    52.55453 meV
[Phonopy]  17:   12.76699 THz    52.80002 meV
[Phonopy]  18:   12.84789 THz    53.13459 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 [0.0021919765956819603, 0.0, 0.009756804733312158]
[Phonopy] 16 [0.0021919765956819603, 0.0, 0.009756804733312158]
[Phonopy] 16 [-0.0021919765956819603, 0.0, -0.009756804733312158]
[Phonopy] Reading force constants from '/var/www/html/data/material-modeling/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905/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 [0.0021919765956819603, 0.0, 0.009756804733312158]
[Phonopy] 16 [0.0021919765956819603, 0.0, 0.009756804733312158]
[Phonopy] 16 [-0.0021919765956819603, 0.0, -0.009756804733312158]
[Phonopy] Reading force constants from '/var/www/html/data/material-modeling/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905/force-constants.npy'
INFO: Saving results into file:///var/www/html/data/material-modeling/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905/ [Fri Jan 31 16:24:51 2025]
INFO: Report available at file:///var/www/html/data/material-modeling/WS2_mp-224_primitive.cif-QuantumEspresso-farhie-20250131-160905//README.html