[QE-users] How to read the epw.out file when calculating Hall mobility of EPW?

4120109024李晨纲 1119550659 at qq.com
Wed Oct 27 14:55:08 CEST 2021


Dear researchers:
Hello, everyone. Let me ask you a question about EPW.
First,this is the pw, EPW version and phonon version I use:


Program PWSCF v.6.8 starts on 19Oct2021 at 10:47:42 

Program EPW v.5.4 starts on 19Oct2021 at 10:41:49
Program PHONON v.6.8 starts on 19Oct2021 at 10:42:21 





Now,  When I calculated the hall mobility with EPW software, I normally got  the output epw.out file, but I was confused about the reading of hall  factor and Hall mobility matrix:
The diagonal values of hall factor and mobility matrix are too far off the mark, but the value r21(0.103271E+01) on a non-diagonal line meets our expectations. 

May I ask researchers why the correct value of hall factor is located at this position of the matrix? 

And from which literature should I know the theoretical derivation process of such matrix results?



The following is the result of .out file:


     =============================================================================================
     BTE
     =============================================================================================

     Temperature:   300.0000 K
     Conductivity tensor without magnetic field | with magnetic field [Siemens/m]
       0.10189E+00  -0.14253E-17   0.27376E-18  |   0.10189E+00  -0.20777E-05  -0.57270E-18
       0.14474E-17   0.10189E+00   0.00000E+00  |   0.25199E-05   0.10189E+00   0.00000E+00
       0.32576E-18   0.00000E+00   0.11448E+00  |  -0.11383E-18   0.00000E+00   0.11448E+00
     Mobility tensor without magnetic field     | with magnetic field [cm^2/Vs]
       0.63593E+03  -0.88962E-14   0.17087E-14  |   0.63593E+03  -0.12968E-01  -0.35745E-14
       0.90339E-14   0.63593E+03   0.00000E+00  |   0.15728E-01   0.63593E+03   0.00000E+00
       0.20332E-14   0.00000E+00   0.71450E+03  |  -0.71045E-15   0.00000E+00   0.71450E+03
     Hall factor
       0.417561E+05   -0.851506E+00   -0.446760E-12
       0.103271E+01    0.417561E+05    0.112747E-28
      -0.261536E-12    0.457976E-17    0.371643E+05




Thank you for your attention and look forward to your answers!!!
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