confused about the output of mobility _ nuq.fmt file
Posted: Fri Aug 23, 2024 4:28 am
Dear develper
I am very confused about the output of mobility _ nuq.fmt file. According to the equation mu ( alpha, beta ) = 1.0 / ( sum _ { nu q } T _ { nu q } ( alpha, beta ) ), when ( alpha, beta ) is ( 1,1 ), I sum all the results of nu and q, and the result is 3.07 * 10 ^ ( 12 ). According to the formula mu ( alpha, beta ) = 1.0 / ( sum _ { nu q } T _ { nu q } ( alpha, beta ) ), mu is obtained by 1 / ( 3.07 * 10 ^ ( 12 ) ) = 0.325 * 10 ^ ( -12 ). From the epw.out file, the mobility results of RTA and ITA can be obtained. As shown below, RTA result is 0.16222 and ITA result is 0.23518. I have two questions, could you help me, thank you very much.
1. According to the formula mu ( alpha, beta ) = 1.0 / ( sum _ { nu q } T _ { nu q } ( alpha, beta ) ), is the final mobility of mu RTA resuts or ITA result?
2. According to data 0.325 * 10 ^ ( -12 ), how to obtain data consistent with epw.out, for example, 0.16222 or 0.23518.
Mobility tensor without magnetic field (RTA) | Hall mobility [cm^2/Vs]
0.16222E+00 -0.17189E-16 0.00000E+00 | 0.38163E-06 0.90507E-01 0.00000E+00
-0.16750E-16 0.16222E+00 0.00000E+00 | -0.83666E-01 0.10449E-06 0.00000E+00
0.00000E+00 0.00000E+00 0.10000E+01 | 0.00000E+00 0.00000E+00 0.00000E+00
Mobility tensor without magnetic field (ITA) | Hall mobility [cm^2/Vs]
0.23518E+00 -0.24653E-16 0.00000E+00 | 0.19113E+03 0.16786E+00 0.00000E+00
-0.24626E-16 0.23518E+00 0.00000E+00 | -0.14386E+00 0.19113E+03 0.00000E+00
0.00000E+00 0.00000E+00 0.10000E+01 | 0.00000E+00 0.00000E+00 0.00000E+00
I am very confused about the output of mobility _ nuq.fmt file. According to the equation mu ( alpha, beta ) = 1.0 / ( sum _ { nu q } T _ { nu q } ( alpha, beta ) ), when ( alpha, beta ) is ( 1,1 ), I sum all the results of nu and q, and the result is 3.07 * 10 ^ ( 12 ). According to the formula mu ( alpha, beta ) = 1.0 / ( sum _ { nu q } T _ { nu q } ( alpha, beta ) ), mu is obtained by 1 / ( 3.07 * 10 ^ ( 12 ) ) = 0.325 * 10 ^ ( -12 ). From the epw.out file, the mobility results of RTA and ITA can be obtained. As shown below, RTA result is 0.16222 and ITA result is 0.23518. I have two questions, could you help me, thank you very much.
1. According to the formula mu ( alpha, beta ) = 1.0 / ( sum _ { nu q } T _ { nu q } ( alpha, beta ) ), is the final mobility of mu RTA resuts or ITA result?
2. According to data 0.325 * 10 ^ ( -12 ), how to obtain data consistent with epw.out, for example, 0.16222 or 0.23518.
Mobility tensor without magnetic field (RTA) | Hall mobility [cm^2/Vs]
0.16222E+00 -0.17189E-16 0.00000E+00 | 0.38163E-06 0.90507E-01 0.00000E+00
-0.16750E-16 0.16222E+00 0.00000E+00 | -0.83666E-01 0.10449E-06 0.00000E+00
0.00000E+00 0.00000E+00 0.10000E+01 | 0.00000E+00 0.00000E+00 0.00000E+00
Mobility tensor without magnetic field (ITA) | Hall mobility [cm^2/Vs]
0.23518E+00 -0.24653E-16 0.00000E+00 | 0.19113E+03 0.16786E+00 0.00000E+00
-0.24626E-16 0.23518E+00 0.00000E+00 | -0.14386E+00 0.19113E+03 0.00000E+00
0.00000E+00 0.00000E+00 0.10000E+01 | 0.00000E+00 0.00000E+00 0.00000E+00