mirror of https://gitlab.com/QEF/q-e.git
49 lines
1.8 KiB
Plaintext
49 lines
1.8 KiB
Plaintext
Warning: Only a single CPU will be used!
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Program TDDFPT_PP v.6.3 starts on 6Sep2018 at 12:35: 8
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This program is part of the open-source Quantum ESPRESSO suite
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for quantum simulation of materials; please cite
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"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
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"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
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URL http://www.quantum-espresso.org",
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in publications or presentations arising from this work. More details at
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http://www.quantum-espresso.org/quote
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Parallel version (MPI), running on 8 processors
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MPI processes distributed on 1 nodes
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R & G space division: proc/nbgrp/npool/nimage = 8
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Reading 500 Lanczos steps
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500 steps will be considered
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Lanczos coefficients:
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Average = 7.79369397
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Average oscillation amplitude = 0.04908797
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Data ready, starting to calculate observables...
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Broadening = 0.10000000 Ry
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Output file name for the susceptibility: Al.plot_chi.dat
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Output file name for the inverse and direct dielectric function: Al.plot_eps.dat
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Functions are reported in \hbar.\omega Energy unit is (eV)
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The f-sum rule is given by Eq.(6) in Comput. Phys. Commun. 196, 460 (2015).
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Integration in the range from 0.00 to 50.00 eV.
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The number of valence (and semicore) electrons in the unit cell: 2.43
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The exact number of electrons: 3.00
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The violation of the f-sum rule: 19.07 %
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TDDFPT_PP : 3.37s CPU 3.37s WALL
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This run was terminated on: 12:35:11 6Sep2018
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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