[QE-users] Regarding el-ph coupling constant and superconducting transition temperature

[Amir Hossein TALEBI HABIBABADI]

Dear Quantum Espresso users


I was wondering if anybody knows how to find the electron-phonon coupling constant for Al. I shared my question before, however still didn't get any idea or comment. This is a gentle reminder.



Thank you very much,

________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of users-bounces at lists.quantum-espresso.org <users-bounces at lists.quantum-espresso.org>
Sent: Tuesday, July 21, 2020 10:05:08 PM
To: users at lists.quantum-espresso.org
Subject: {Possibly Forged} [QE-users] Regarding el-ph coupling constant and superconducting transition temperature


Dear QE users,

I was trying to get el-ph coupling constant  and  the superconducting transition temperature of Al, an example provided by QE. I followed the exact way as it was instructed in Phonon example. I successfully run all steps of calculations. At the end of calculations, I got lambda.dat, lmbda.out and lambda output files but I  was wondering  how to extract the exact value of Tc and el-ph coupling constant for Al as there are many Tc and lambda values with having different broadening values in lambda.out files.  Below are the output files of Al calculations:



ambda.dat
# degauss   lambda    int alpha2F  <log w>     N(Ef)
  0.005    0.292219    0.292219   392.156    1.339210
  0.010    0.434780    0.434937   352.897    1.881761
  0.015    0.426036    0.426358   341.143    2.123229
  0.020    0.397530    0.397877   336.084    2.249739
  0.025    0.376245    0.376564   332.295    2.329803
  0.030    0.366800    0.367086   328.971    2.396029
  0.035    0.365939    0.366202   326.273    2.455226
  0.040    0.370225    0.370477   324.195    2.507873
  0.045    0.376730    0.376976   322.662    2.552966
  0.050    0.383525    0.383770   321.551    2.589582

lambda.out
     lambda = 0.292219 (   0.292219 )  <log w>=  392.156 K  N(Ef)=  1.339210 at degauss= 0.005
     lambda = 0.434780 (   0.434937 )  <log w>=  352.897 K  N(Ef)=  1.881761 at degauss= 0.010
     lambda = 0.426036 (   0.426358 )  <log w>=  341.143 K  N(Ef)=  2.123229 at degauss= 0.015
     lambda = 0.397530 (   0.397877 )  <log w>=  336.084 K  N(Ef)=  2.249739 at degauss= 0.020
     lambda = 0.376245 (   0.376564 )  <log w>=  332.295 K  N(Ef)=  2.329803 at degauss= 0.025
     lambda = 0.366800 (   0.367086 )  <log w>=  328.971 K  N(Ef)=  2.396029 at degauss= 0.030
     lambda = 0.365939 (   0.366202 )  <log w>=  326.273 K  N(Ef)=  2.455226 at degauss= 0.035
     lambda = 0.370225 (   0.370477 )  <log w>=  324.195 K  N(Ef)=  2.507873 at degauss= 0.040
     lambda = 0.376730 (   0.376976 )  <log w>=  322.662 K  N(Ef)=  2.552966 at degauss= 0.045
     lambda = 0.383525 (   0.383770 )  <log w>=  321.551 K  N(Ef)=  2.589582 at degauss= 0.050
lambda        omega_log          T_c
   0.29222       392.156              0.145
   0.43478       352.897              2.308
   0.42604       341.143              2.014
   0.39753       336.084              1.362
   0.37625       332.295              0.965
   0.36680       328.971              0.810
   0.36594       326.273              0.791
   0.37023       324.195              0.849
   0.37673       322.662              0.945
   0.38353       321.551              1.053

lambda


  Electron-phonon coupling constant, lambda

 Broadening   0.0050 lambda       0.2036 dos(Ef)  1.3392 omega_ln [K]    813.2920
 Broadening   0.0100 lambda       0.3885 dos(Ef)  1.8818 omega_ln [K]    426.3402
 Broadening   0.0150 lambda       0.4017 dos(Ef)  2.1232 omega_ln [K]    374.0602
 Broadening   0.0200 lambda       0.3810 dos(Ef)  2.2497 omega_ln [K]    356.9698
 Broadening   0.0250 lambda       0.3621 dos(Ef)  2.3298 omega_ln [K]    347.0939
 Broadening   0.0300 lambda       0.3530 dos(Ef)  2.3960 omega_ln [K]    339.6823
 Broadening   0.0350 lambda       0.3516 dos(Ef)  2.4552 omega_ln [K]    333.9827
 Broadening   0.0400 lambda       0.3543 dos(Ef)  2.5079 omega_ln [K]    329.7422
 Broadening   0.0450 lambda       0.3583 dos(Ef)  2.5530 omega_ln [K]    326.6856
 Broadening   0.0500 lambda       0.3621 dos(Ef)  2.5896 omega_ln [K]    324.5323



It would be great if someone can suggest me.
Best regards
 Amir Talebi





---------------------------------------
Amir Hossein Talebi,
Department of Physics and Materials Science,
University of Luxembourg.


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