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Format of linewidth.phself and elself files 
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Joined: Wed Jan 31, 2018 5:45 pm
Posts: 4
University: USASK
Post Format of linewidth.phself and elself files
Dear developers and users

I am using EPW v.4.1.0 with QE 6.0.
I tried lead example in EPW examples. I got the linewidth.phself. However I am bit confused about the obtained output format. Here I copied the very beginning part of the linewidth.phself file I obtained.


# Phonon frequency and phonon lifetime in meV
# Q-point Mode Phonon freq (meV) Phonon linewidth (meV)
1 1 -0.14073816E-04 0.0000000000E+00
1 2 -0.14073225E-04 0.0000000000E+00
1 3 -0.14072777E-04 0.0000000000E+00
2 1 0.77414927E+00 -0.5239253511E-03
2 2 0.77414927E+00 -0.5239316349E-03
2 3 0.20451504E+01 0.1789431616E-02
3 1 0.14784854E+01 0.8497489662E-04
3 2 0.14784854E+01 0.8497269123E-04
3 3 0.39004376E+01 0.6272282327E-04
4 1 0.20704164E+01 0.6859115660E-06
4 2 0.20704164E+01 0.6859462611E-06
4 3 0.54275491E+01 0.1822507293E-05
5 1 0.25478676E+01 0.4153709499E-02
5 2 0.25478676E+01 0.4153917542E-02
5 3 0.65795568E+01 0.1970440940E-01
........


I wanted to plot this linewidth Vs K as for diamond example. But this format is different with diamond's linewidth.phself given in your example out.ref folder. It has the format given below and with my file I am unable to find different modes.


#Phonon lifetime (meV)

#Q-point Mode 1 Mode 2 Mode 3 Mode 4 Mode 5 Mode 6


1 0.75892E-17 0.75892E-17 0.82538E-17 0.81907E-15 0.81907E-15 0.29488E-16
2 0.77799E-17 0.78136E-17 0.13256E-16 0.14337E-14 0.14338E-14 0.66351E-16
3 0.94965E-17 0.95806E-17 0.22891E-16 0.31360E-14 0.31364E-14 0.16118E-15
4 0.13594E-16 0.13777E-16 0.27644E-16 0.55850E-14 0.55861E-14 0.27710E-15
5 0.27968E-16 0.28492E-16 0.22539E-16 0.83664E-14 0.83685E-14 0.32158E-15
6 0.10095E-15 0.10334E-15 0.21088E-16 0.14484E-13 0.14488E-13 0.29547E-15
7 0.38215E-15 0.39272E-15 0.85390E-16 0.37290E-13 0.37302E-13 0.68071E-15
8 0.12158E-14 0.12536E-14 0.45203E-15 0.13363E-12 0.13367E-12 0.44403E-14
9 0.28333E-14 0.29295E-14 0.16358E-14 0.50021E-12 0.50037E-12 0.23546E-13
10 0.48055E-14 0.49795E-14 0.39409E-14 0.15473E-11 0.15478E-11 0.85448E-13
11 0.63961E-14 0.66372E-14 0.63315E-14 0.35872E-11 0.35887E-11 0.21149E-12



my problem is :
1. Why lead and diamonds have different linewidth.phself ? How to get the diamond format?
2. What is the meaning of Q point mode in diamond file?

Just for clarification,
What is the difference of Re[Sigma] and Im[Sigma] written at the end of the epw.out and epw2.out files. I beleive epw2.out data are for electron_self energy and epw.out are for phonon_self energy. Am I correct??

Thank you very much

Jaya


Sun Feb 04, 2018 10:54 pm
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