mirror of https://gitlab.com/QEF/q-e.git
67 lines
3.2 KiB
Plaintext
67 lines
3.2 KiB
Plaintext
|
|
Program POSTAHC v.6.5 starts on 14Apr2020 at 17:37:51
|
|
|
|
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
|
|
|
|
|
|
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 -0.0042216 0.0043668 -0.0085885 -0.0033173 -0.0052712
|
|
1 2 0.0087996 0.0827887 -0.0739891 -0.0691964 -0.0047926
|
|
1 3 0.0087996 0.0827887 -0.0739891 -0.0691964 -0.0047926
|
|
1 4 0.0087996 0.0827887 -0.0739891 -0.0691964 -0.0047926
|
|
1 5 -0.0173537 0.0742103 -0.0915639 -0.0646160 -0.0269479
|
|
1 6 -0.0173537 0.0742103 -0.0915639 -0.0646160 -0.0269479
|
|
1 7 -0.0173537 0.0742103 -0.0915639 -0.0646160 -0.0269479
|
|
1 8 -0.0526747 0.0043468 -0.0570215 -0.0154841 -0.0415374
|
|
2 1 -0.0007420 0.0129225 -0.0136646 -0.0107080 -0.0029566
|
|
2 2 -0.0008902 0.0353681 -0.0362583 -0.0299075 -0.0063508
|
|
2 3 -0.0051962 0.0619294 -0.0671256 -0.0524427 -0.0146829
|
|
2 4 -0.0051962 0.0619294 -0.0671256 -0.0524427 -0.0146829
|
|
2 5 -0.0193268 0.0215548 -0.0408816 -0.0229979 -0.0178837
|
|
2 6 -0.0077223 0.0056365 -0.0133588 -0.0110175 -0.0023413
|
|
2 7 -0.0084510 0.1254618 -0.1339128 -0.1075693 -0.0263435
|
|
2 8 -0.0084510 0.1254618 -0.1339128 -0.1075693 -0.0263435
|
|
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.
|
|
|
|
|
|
debye_waller : 0.00s CPU 0.00s WALL ( 27 calls)
|
|
lower_fan : 0.00s CPU 0.01s WALL ( 27 calls)
|
|
upper_fan : 0.00s CPU 0.00s WALL ( 27 calls)
|
|
|
|
POSTAHC : 0.01s CPU 0.01s WALL
|
|
|
|
|
|
This run was terminated on: 17:37:51 14Apr2020
|
|
|
|
=------------------------------------------------------------------------------=
|
|
JOB DONE.
|
|
=------------------------------------------------------------------------------=
|