Warning: Only a single CPU will be used! Program TDDFPT_PP v.5.4.0 (svn rev. 12487) starts on 13Jun2016 at 11:40:52 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); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote HOST : @host@ ARCH : x86_64 CC : icc CPP : cpp F90 : mpiifort F77 : ifort DFLAGS : -D__INTEL -D__FFTW3 -D__MPI -D__PARA -D__SCALAPACK BLAS LIBS : -lmkl_intel_lp64 -lmkl_sequential -lmkl_core LAPACK LIBS : FFT LIBS : -lfftw3 MASS LIBS : Parallel version (MPI), running on 8 processors R & G space division: proc/nbgrp/npool/nimage = 8 Reading 500 Lanczos steps for direction 1 500 steps will be considered Reading 500 Lanczos steps for direction 2 500 steps will be considered Reading 500 Lanczos steps for direction 3 500 steps will be considered Polarization direction:1 Lanczos coefficients: Average = 13.04033852 Average oscillation amplitude = 0.40156083 Polarization direction:2 Lanczos coefficients: Average = 13.04033852 Average oscillation amplitude = 0.40156083 Polarization direction:3 Lanczos coefficients: Average = 13.04033852 Average oscillation amplitude = 0.40156083 Data ready, starting to calculate observables... Broadening = 0.01000000 Ry Output file name: CH4.plot_chi.dat chi_i_j: dipole polarizability tensor in units of e^2*a_0^2/energy S: oscillator strength in units of 1/energy S(\hbar \omega) = 2m/( 3 \pi e^2 \hbar) \omega sum_j chi_j_j S(\hbar \omega) satisfies the f-sum rule: \int_0^\infty dE S(E) = N_el Functions are reported in \hbar.\omega Energy unit is (Ry) TDDFPT_PP : 10.58s CPU 10.65s WALL This run was terminated on: 11:41: 3 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=