If your k point grid is fine enough, if you plot lambda as a function of the broadening there is a plateau, i.e. it looks like this:
lambda ^ |\ | \ | \______ <-- converged value | \ |_________\__> broadening The correct value of lambda is the one on the plateau hth On 10/06/2014 07:11 AM, Elio Physics wrote: > Hello all, > > I have calculated the electron phonon interaction of a system I am > working on and got the following results: > > Electron-phonon coupling constant, lambda > > Broadening 0.0050 lambda 0.0004 dos(Ef) 0.0038 > Broadening 0.0100 lambda 0.0630 dos(Ef) 0.5291 > Broadening 0.0150 lambda 0.1143 dos(Ef) 1.0535 > Broadening 0.0200 lambda 0.1077 dos(Ef) 1.4146 > Broadening 0.0250 lambda 0.0919 dos(Ef) 1.8217 > Broadening 0.0300 lambda 0.0860 dos(Ef) 2.2762 > Broadening 0.0350 lambda 0.0911 dos(Ef) 2.7504 > Broadening 0.0400 lambda 0.1039 dos(Ef) 3.2086 > Broadening 0.0450 lambda 0.1203 dos(Ef) 3.6247 > Broadening 0.0500 lambda 0.1368 dos(Ef) 3.9875 > > I do not really understand how to interpret these results. Do we need > to choose only one of those broadening values or should the value of > lambda be the same for all of the broadening values, i.e > convergence?.....Is there any document or (maybe paper) which can > actually help me to understand these numbers. Your help is highly > appreciated. > > > Thanks in advance > > Elio > University of Rondonio > Brazil > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Universit? Paris 6 +33 (0)1 44 275 084 / skype: paulatz http://www.impmc.upmc.fr/~paulatto/ 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20141006/8ee7d45f/attachment.html
