mirror of https://gitlab.com/QEF/q-e.git
68 lines
3.3 KiB
Plaintext
68 lines
3.3 KiB
Plaintext
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Program POSTAHC v.6.5 starts on 9Apr2020 at 16:53:27
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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 1 processors
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MPI processes distributed on 1 nodes
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Fft bands division: nmany = 1
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Calculating electron self-energy. Loop over q points
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1 2 3 4 5 6 7 8
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Skip upper Fan: upper Fan self-energy is set to zero
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Real part of diagonal electron self-energy in Ry
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Self-energy of degenerate states are averaged.
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Total_Fan = Upper_Fan + Lower_Fan
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Total = Total_Fan + DW
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Begin postahc output
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ik ibnd Total DW Total_Fan Upper_Fan Lower_Fan
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1 1 -0.0379190 0.0007773 -0.0386963 0.0000000 -0.0386963
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1 2 0.0180099 0.0438047 -0.0257948 0.0000000 -0.0257948
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1 3 0.0180099 0.0438047 -0.0257948 0.0000000 -0.0257948
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1 4 0.0180099 0.0438047 -0.0257948 0.0000000 -0.0257948
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2 1 -0.0400718 0.0019322 -0.0420040 0.0000000 -0.0420040
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2 2 -0.0486684 0.0145147 -0.0631831 0.0000000 -0.0631831
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2 3 0.0459231 0.0349731 0.0109500 0.0000000 0.0109500
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2 4 0.0459231 0.0349731 0.0109500 0.0000000 0.0109500
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3 1 -0.0487428 0.0023636 -0.0511064 0.0000000 -0.0511064
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3 2 0.0331788 0.0247317 0.0084470 0.0000000 0.0084470
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3 3 0.0969264 0.0309596 0.0659668 0.0000000 0.0659668
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3 4 0.0524227 0.0335007 0.0189220 0.0000000 0.0189220
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4 1 -0.0472693 0.0052949 -0.0525642 0.0000000 -0.0525642
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4 2 0.0126477 0.0118944 0.0007533 0.0000000 0.0007533
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4 3 -0.0418651 0.0211798 -0.0630449 0.0000000 -0.0630449
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4 4 0.0312758 0.0321946 -0.0009188 0.0000000 -0.0009188
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5 1 -0.0385948 0.0034158 -0.0420105 0.0000000 -0.0420105
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5 2 0.0669594 0.0179428 0.0490166 0.0000000 0.0490166
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5 3 -0.0143887 0.0283055 -0.0426941 0.0000000 -0.0426941
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5 4 0.0517871 0.0314274 0.0203598 0.0000000 0.0203598
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End postahc output
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Full off-diagonal complex self-energy is written
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in selfen_real.dat and selfen_imag.dat.
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Can differ from the output above because the
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Self-energy of degenerate states are NOT averaged.
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debye_waller : 0.00s CPU 0.00s WALL ( 8 calls)
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lower_fan : 0.00s CPU 0.00s WALL ( 8 calls)
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POSTAHC : 0.01s CPU 0.01s WALL
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This run was terminated on: 16:53:27 9Apr2020
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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