mirror of https://gitlab.com/QEF/q-e.git
71 lines
3.5 KiB
Plaintext
71 lines
3.5 KiB
Plaintext
|
|
Program POSTAHC v.6.5 starts on 14Apr2020 at 17:38: 8
|
|
|
|
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), running on 4 processors
|
|
|
|
MPI processes distributed on 1 nodes
|
|
R & G space division: proc/nbgrp/npool/nimage = 4
|
|
Fft bands division: nmany = 1
|
|
|
|
Calculating electron self-energy. Loop over q points
|
|
1 2 3 4 5 6 7 8 9 10
|
|
11 12 13 14 15 16 17 18 19 20
|
|
21 22 23 24 25 26 27 28 29 30
|
|
31 32 33 34 35 36 37 38 39 40
|
|
41 42 43 44 45 46 47 48 49 50
|
|
51 52 53 54 55 56 57 58 59 60
|
|
61 62 63 64
|
|
|
|
Skip Debye-Waller: Debye-Waller self-energy is set to zero
|
|
Skip upper Fan: upper Fan self-energy is set to zero
|
|
|
|
Real part of diagonal electron self-energy in Ry
|
|
Self-energy of degenerate states are averaged.
|
|
Total_Fan = Upper_Fan + Lower_Fan
|
|
Total = Total_Fan + DW
|
|
|
|
Begin postahc output
|
|
ik ibnd Total DW Total_Fan Upper_Fan Lower_Fan
|
|
1 1 -0.0055604 0.0000000 -0.0055604 0.0000000 -0.0055604
|
|
1 2 -0.0053126 0.0000000 -0.0053126 0.0000000 -0.0053126
|
|
1 3 -0.0053126 0.0000000 -0.0053126 0.0000000 -0.0053126
|
|
1 4 -0.0053126 0.0000000 -0.0053126 0.0000000 -0.0053126
|
|
1 5 -0.0283743 0.0000000 -0.0283743 0.0000000 -0.0283743
|
|
1 6 -0.0283743 0.0000000 -0.0283743 0.0000000 -0.0283743
|
|
1 7 -0.0283743 0.0000000 -0.0283743 0.0000000 -0.0283743
|
|
1 8 0.0209346 0.0000000 0.0209346 0.0000000 0.0209346
|
|
2 1 -0.0085734 0.0000000 -0.0085734 0.0000000 -0.0085734
|
|
2 2 -0.0081975 0.0000000 -0.0081975 0.0000000 -0.0081975
|
|
2 3 -0.0088868 0.0000000 -0.0088868 0.0000000 -0.0088868
|
|
2 4 -0.0088868 0.0000000 -0.0088868 0.0000000 -0.0088868
|
|
2 5 -0.0116025 0.0000000 -0.0116025 0.0000000 -0.0116025
|
|
2 6 -0.0132831 0.0000000 -0.0132831 0.0000000 -0.0132831
|
|
2 7 -0.0062952 0.0000000 -0.0062952 0.0000000 -0.0062952
|
|
2 8 -0.0062952 0.0000000 -0.0062952 0.0000000 -0.0062952
|
|
End postahc output
|
|
|
|
Full off-diagonal complex self-energy matrix is written in files
|
|
selfen_real.dat and selfen_imag.dat. These data can differ from
|
|
the output above because the self-energy of degenerate states are
|
|
NOT averaged in the selfen_*.dat output.
|
|
|
|
|
|
lower_fan : 0.01s CPU 0.01s WALL ( 64 calls)
|
|
|
|
POSTAHC : 0.01s CPU 0.02s WALL
|
|
|
|
|
|
This run was terminated on: 17:38: 8 14Apr2020
|
|
|
|
=------------------------------------------------------------------------------=
|
|
JOB DONE.
|
|
=------------------------------------------------------------------------------=
|