mirror of https://gitlab.com/QEF/q-e.git
88 lines
4.8 KiB
Plaintext
88 lines
4.8 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
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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 -0.0033902 0.0028228 -0.0062130 -0.0024421 -0.0037709
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1 2 0.0100889 0.0519438 -0.0418550 -0.0395855 -0.0022695
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1 3 0.0100889 0.0519438 -0.0418550 -0.0395855 -0.0022695
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1 4 0.0100889 0.0519438 -0.0418550 -0.0395855 -0.0022695
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1 5 0.0033753 0.0343565 -0.0309812 -0.0328151 0.0018339
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1 6 0.0033753 0.0343565 -0.0309812 -0.0328151 0.0018339
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1 7 0.0033753 0.0343565 -0.0309812 -0.0328151 0.0018339
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1 8 -0.0179373 0.0023514 -0.0202887 -0.0115828 -0.0087058
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2 1 -0.0059371 0.0061285 -0.0120656 -0.0048363 -0.0072293
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2 2 0.0026356 0.0164187 -0.0137831 -0.0153322 0.0015491
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2 3 0.0110883 0.0398740 -0.0287858 -0.0338382 0.0050524
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2 4 0.0110883 0.0398740 -0.0287858 -0.0338382 0.0050524
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2 5 -0.0155482 0.0029071 -0.0184553 -0.0092921 -0.0091632
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2 6 0.0054852 0.0315898 -0.0261046 -0.0295725 0.0034678
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2 7 0.0054852 0.0315898 -0.0261046 -0.0295725 0.0034678
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2 8 -0.0146538 0.0254839 -0.0401377 -0.0260761 -0.0140617
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3 1 -0.0033507 0.0045123 -0.0078630 -0.0036563 -0.0042067
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3 2 -0.0063335 0.0284946 -0.0348281 -0.0237342 -0.0110939
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3 3 -0.0046240 0.0364297 -0.0410538 -0.0300361 -0.0110177
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3 4 0.0075198 0.0429938 -0.0354740 -0.0353839 -0.0000901
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3 5 0.0020958 0.0289896 -0.0268938 -0.0273915 0.0004977
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3 6 0.0196863 0.0391524 -0.0194660 -0.0360791 0.0166130
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3 7 0.0277273 0.0491432 -0.0214159 -0.0430796 0.0216637
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3 8 -0.0078911 0.0113871 -0.0192782 -0.0163749 -0.0029033
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4 1 -0.0009001 0.0091972 -0.0100973 -0.0075890 -0.0025083
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4 2 -0.0040558 0.0169048 -0.0209606 -0.0149354 -0.0060252
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4 3 0.0052038 0.0259785 -0.0207746 -0.0224669 0.0016923
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4 4 0.0081778 0.0321651 -0.0239873 -0.0268015 0.0028142
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4 5 -0.0146440 0.0150931 -0.0297371 -0.0173970 -0.0123401
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4 6 0.0157633 0.0271964 -0.0114331 -0.0269704 0.0155374
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4 7 -0.0205561 0.0357241 -0.0562802 -0.0345418 -0.0217384
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4 8 0.0159500 0.0503901 -0.0344401 -0.0461915 0.0117515
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5 1 -0.0040786 0.0062070 -0.0102855 -0.0052127 -0.0050728
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5 2 -0.0042009 0.0218183 -0.0260192 -0.0194364 -0.0065828
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5 3 0.0018803 0.0320901 -0.0302098 -0.0267664 -0.0034434
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5 4 0.0119853 0.0384096 -0.0264244 -0.0318165 0.0053921
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5 5 0.0068622 0.0256382 -0.0187760 -0.0254775 0.0067015
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5 6 0.0017436 0.0277493 -0.0260057 -0.0271272 0.0011215
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5 7 0.0037290 0.0327803 -0.0290513 -0.0328832 0.0038319
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5 8 0.0025275 0.0271870 -0.0246594 -0.0273064 0.0026470
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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 ( 4 calls)
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lower_fan : 0.00s CPU 0.00s WALL ( 4 calls)
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upper_fan : 0.00s CPU 0.00s WALL ( 4 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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