Program DYNMAT v.6.5 starts on 7Jun2023 at 23: 5: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 1 processor cores Number of MPI processes: 1 Threads/MPI process: 1 MPI processes distributed on 1 nodes Reading Dynamical Matrix from file MoS2.dynG ...Force constants read ...epsilon and Z* read ...Raman cross sections read Acoustic Sum Rule: || Z*(ASR) - Z*(orig)|| = 2.073624E-02 Acoustic Sum Rule: ||dyn(ASR) - dyn(orig)||= 4.664439E-02 A direction for q was not specified:TO-LO splitting will be absent Polarizability (A^3 units) multiply by 0.205996 for Clausius-Mossotti correction 110.505634 0.000000 0.000000 0.000000 110.505634 0.000000 0.000000 0.000000 51.788626 IR activities are in (D/A)^2/amu units Raman activities are in A^4/amu units multiply Raman by 0.042434 for Clausius-Mossotti correction # mode [cm-1] [THz] IR Raman depol.fact 1 -77.92 -2.3360 0.0000 0.2194 0.7500 2 -77.92 -2.3360 0.0000 0.2194 0.7500 3 -0.00 -0.0000 0.0000 0.0000 0.0812 4 -0.00 -0.0000 0.0000 0.0000 0.5329 5 0.00 0.0000 0.0000 0.0000 0.0519 6 53.83 1.6137 0.0000 0.0000 0.0850 7 291.51 8.7393 0.0000 0.0000 0.6818 8 291.51 8.7393 0.0000 0.0000 0.7474 9 294.36 8.8247 0.0000 2.7865 0.7500 10 294.36 8.8247 0.0000 2.7865 0.7500 11 402.45 12.0653 0.0000 293.3664 0.7500 12 402.45 12.0653 0.0000 293.3664 0.7500 13 403.04 12.0828 1.8289 0.0000 0.6462 14 403.04 12.0828 1.8289 0.0000 0.7498 15 412.51 12.3669 0.0000 0.0000 0.0432 16 418.60 12.5494 0.0000 4311.0002 0.0335 17 477.01 14.3003 0.6708 0.0000 0.3565 18 479.95 14.3885 0.0000 0.0000 0.0358 DYNMAT : 0.01s CPU 0.07s WALL This run was terminated on: 23: 5: 7 7Jun2023 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=