[QE-users] Regarding el-ph coupling constant and superconducting transition temperature
Amir Hossein TALEBI HABIBABADI
amir.talebi at uni.lu
Tue Jul 21 22:05:08 CEST 2020
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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