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<p>Dear Quantum Espresso users </p>
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<p>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.</p>
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<p>Thank you very much,</p>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of users-bounces@lists.quantum-espresso.org <users-bounces@lists.quantum-espresso.org><br>
<b>Sent:</b> Tuesday, July 21, 2020 10:05:08 PM<br>
<b>To:</b> users@lists.quantum-espresso.org<br>
<b>Subject:</b> {Possibly Forged} [QE-users] Regarding el-ph coupling constant and superconducting transition temperature</font>
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<div>Dear QE users,</div>
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</div>
<div>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:</div>
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<div>ambda.dat </div>
<div># degauss lambda int alpha2F <log w> N(Ef)</div>
<div> 0.005 0.292219 0.292219 392.156 1.339210</div>
<div> 0.010 0.434780 0.434937 352.897 1.881761</div>
<div> 0.015 0.426036 0.426358 341.143 2.123229</div>
<div> 0.020 0.397530 0.397877 336.084 2.249739</div>
<div> 0.025 0.376245 0.376564 332.295 2.329803</div>
<div> 0.030 0.366800 0.367086 328.971 2.396029</div>
<div> 0.035 0.365939 0.366202 326.273 2.455226</div>
<div> 0.040 0.370225 0.370477 324.195 2.507873</div>
<div> 0.045 0.376730 0.376976 322.662 2.552966</div>
<div> 0.050 0.383525 0.383770 321.551 2.589582</div>
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<div>lambda.out</div>
<div> lambda = 0.292219 ( 0.292219 ) <log w>= 392.156 K N(Ef)= 1.339210 at degauss= 0.005</div>
<div> lambda = 0.434780 ( 0.434937 ) <log w>= 352.897 K N(Ef)= 1.881761 at degauss= 0.010</div>
<div> lambda = 0.426036 ( 0.426358 ) <log w>= 341.143 K N(Ef)= 2.123229 at degauss= 0.015</div>
<div> lambda = 0.397530 ( 0.397877 ) <log w>= 336.084 K N(Ef)= 2.249739 at degauss= 0.020</div>
<div> lambda = 0.376245 ( 0.376564 ) <log w>= 332.295 K N(Ef)= 2.329803 at degauss= 0.025</div>
<div> lambda = 0.366800 ( 0.367086 ) <log w>= 328.971 K N(Ef)= 2.396029 at degauss= 0.030</div>
<div> lambda = 0.365939 ( 0.366202 ) <log w>= 326.273 K N(Ef)= 2.455226 at degauss= 0.035</div>
<div> lambda = 0.370225 ( 0.370477 ) <log w>= 324.195 K N(Ef)= 2.507873 at degauss= 0.040</div>
<div> lambda = 0.376730 ( 0.376976 ) <log w>= 322.662 K N(Ef)= 2.552966 at degauss= 0.045</div>
<div> lambda = 0.383525 ( 0.383770 ) <log w>= 321.551 K N(Ef)= 2.589582 at degauss= 0.050</div>
<div>lambda omega_log T_c</div>
<div> 0.29222 392.156 0.145</div>
<div> 0.43478 352.897 2.308</div>
<div> 0.42604 341.143 2.014</div>
<div> 0.39753 336.084 1.362</div>
<div> 0.37625 332.295 0.965</div>
<div> 0.36680 328.971 0.810</div>
<div> 0.36594 326.273 0.791</div>
<div> 0.37023 324.195 0.849</div>
<div> 0.37673 322.662 0.945</div>
<div> 0.38353 321.551 1.053</div>
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<div>lambda</div>
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<div> Electron-phonon coupling constant, lambda </div>
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<div> Broadening 0.0050 lambda 0.2036 dos(Ef) 1.3392 omega_ln [K] 813.2920</div>
<div> Broadening 0.0100 lambda 0.3885 dos(Ef) 1.8818 omega_ln [K] 426.3402</div>
<div> Broadening 0.0150 lambda 0.4017 dos(Ef) 2.1232 omega_ln [K] 374.0602</div>
<div> Broadening 0.0200 lambda 0.3810 dos(Ef) 2.2497 omega_ln [K] 356.9698</div>
<div> Broadening 0.0250 lambda 0.3621 dos(Ef) 2.3298 omega_ln [K] 347.0939</div>
<div> Broadening 0.0300 lambda 0.3530 dos(Ef) 2.3960 omega_ln [K] 339.6823</div>
<div> Broadening 0.0350 lambda 0.3516 dos(Ef) 2.4552 omega_ln [K] 333.9827</div>
<div> Broadening 0.0400 lambda 0.3543 dos(Ef) 2.5079 omega_ln [K] 329.7422</div>
<div> Broadening 0.0450 lambda 0.3583 dos(Ef) 2.5530 omega_ln [K] 326.6856</div>
<div> Broadening 0.0500 lambda 0.3621 dos(Ef) 2.5896 omega_ln [K] 324.5323</div>
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<div>It would be great if someone can suggest me.</div>
<div>Best regards</div>
<div> Amir Talebi</div>
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<div><b><font size="2" face="Bookman Old Style" style="font-family:Bookman Old Style,serif,"EmojiFont""><font face="Bookman Old Style"><span style="font-family:"Century Gothic",sans-serif; font-size:10pt">---------------------------------------</span><br>
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<div><font size="2" face="Bookman Old Style" style="font-family:Bookman Old Style,serif,"EmojiFont""><font face="Bookman Old Style"><font size="2" face="Bookman Old Style" style="font-family:Bookman Old Style,serif,"EmojiFont""><font face="Bookman Old Style"><span style="font-family:"Century Gothic",sans-serif; font-size:10pt">Amir
Hossein Talebi</span></font></font><span style="font-family:"Century Gothic",sans-serif; font-size:10pt">,</span></font></font></div>
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<div><span style="font-family:"Century Gothic",sans-serif; font-size:10pt">Department of Physics and Materials Science,</span></div>
<span style="font-family:"Century Gothic",sans-serif; font-size:10pt"></span></span></span><span style="font-family:"Century Gothic",sans-serif; font-size:10pt">University of Luxembourg.</span></font></font><br>
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