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Regarding the scattering rate
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Joined: Sun Oct 16, 2016 5:41 pm
Posts: 35
University: Kyushu university
Regarding the scattering rate
Dear Dr. Sponce and experts

I need to calculate the electron scattering rate for my system. I have finished the linewidth.elself successfully and trying to understand the content of the file.
In my system there are 27 wannier bands and I have successfully wanniearized them. As a first step I have done 6x6x6 coarse k- and q- meshes with 4001 random fine meshes. Below, I copied a part of my linewidth.elself file.

I know that scattering rate is 2*Im(sigma). But I am confusing how to sort the data to get the "Scattering rate Vs Electron energy" plot as in Fig. 8 of the EPW paper (https://www.sciencedirect.com/science/a ... 60#s000075).

If I understood correctly, I may have to separate all the points with same ibnd (2nd column of the file). But in that case my data does not look nice as in the paper (Fig. 8).

In my case the most close to the E_fermi is the 8th band. Do I have to focus only ibnd=8 ?

I appreciate your early response very much.

# ik ibnd E(ibnd) Im(Sgima)(meV)
1 1 -0.45606483761782E+01 0.39856041615491E+01
1 2 -0.30855935730980E+01 0.27978387959030E+02
1 3 -0.25446039133064E+01 0.20753776073426E+02
1 4 -0.15675758108489E+01 0.21430016570508E+02
1 5 -0.98182113664319E+00 0.28600124112317E+02
1 6 -0.94102807124223E+00 0.19607944994357E+02
1 7 -0.19849300694979E+00 0.11543013736093E+02
1 8 -0.66220294155757E-01 0.19732327015486E+02
1 9 -0.44158132948267E-01 0.10035630015342E+02
1 10 0.18330391460490E+00 0.17585078671695E+02
1 11 0.24218110819271E+00 0.18309358671863E+02
1 12 0.37232142665701E+00 0.37026672428338E+02
1 13 0.49744562400897E+00 0.21797465924857E+02
1 14 0.65908188774898E+00 0.15427236387999E+02
1 15 0.67014689115448E+00 0.12860671974053E+02
1 16 0.82135588154154E+00 0.17359870929849E+02
1 17 0.93832496845885E+00 0.27020345154815E+02
1 18 0.11340946285243E+01 0.13258379017933E+02
1 19 0.12494639821685E+01 0.32446891190896E+02
1 20 0.12953483022460E+01 0.28033464032690E+02
1 21 0.14796672507633E+01 0.12764435982197E+02
1 22 0.16456177866073E+01 0.85874079395715E+01
1 23 0.19508700709204E+01 0.65378566727946E+01
1 24 0.19879417958627E+01 0.17098738955026E+02
1 25 0.25545536122570E+01 0.20531205760982E+02
1 26 0.37420087569864E+01 0.70379633372874E+01
1 27 0.46286741313186E+01 0.34449504883122E+02
2 1 -0.45624996936911E+01 0.39975418091209E+01
2 2 -0.30864618934387E+01 0.27943516180682E+02
2 3 -0.25428602901940E+01 0.20573988162203E+02
2 4 -0.15662335578075E+01 0.21417939706349E+02
2 5 -0.98229960104930E+00 0.28572934724439E+02
2 6 -0.94214253578889E+00 0.19628794389445E+02
2 7 -0.19781670801209E+00 0.11514442581967E+02

Tue Dec 03, 2019 8:34 pm
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