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??????
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users