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

[Lorenzo Paulatto]

I think Al is one of the examples of the lambda code, check in PH/examples

-- 
Lorenzo Paulatto

On Fri, 24 Jul 2020, 22:04 Amir Hossein TALEBI HABIBABADI, <
amir.talebi at uni.lu> wrote:

> 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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