Prof Isaev, Thank you for your response. I am still confused, though. a2F is a function of omega only, but the a2Fq2r.* files hold matrices, in the exact format of the dynamical matrices. But these are not the dyn mats; separate files called matdyn* (* ranging from 1 to number of q-points) are created, which are the dyn mats. Another issue is that these a2Fq2r.* files are created BEFORE the q2r calculation. q2r.x actually uses these files and creates the files a2Fmatdyn.* (* ranging from 61 to 70). It seems to me like the a2Fmatdyn.* are used for matdyn.x to get a2F(omega), so the a2Fq2r.* files--and the a2Fmatdyn.* files, for that matter--couldn't possibly be the spectral function data. Am I incorrect? Thank you for your time.
HB On Thu, May 27, 2010 at 4:49 PM, Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote: > Dear Rhee, > > --- On Fri, 5/28/10, Hahnbidt Rhee <hrhee at ucdavis.edu> wrote: > > > What exactly are in the files a2Fq2r.* (the suffix ranging from 51 to > > 60), which are generated during an el-ph calculation? The format of > > these files are like those of the dynamical matrices, but they are not > > the same. > > They are Eliashberg function (\alpha^2F(\omega)) calculated for 10 degauss > (ranging from 0.005 till 0.05 by default) which are then used to evaluate > lambda. > > > How are they related to the dynamical matrices? > > Not sure they are related. > > > Why are there 10 of them, and how are these related to each other? > > This one is due to double delta in the \gamma function which enters to the > Eliashberg function. As integration of double delta is a hard problem, the > summation in the BZ is performed by special points and broadening > techniques. Different values for delta (10 by default) is used to find > converged (w.r.t. delta) lambda. > > So, they are not related. > > Bests, > Eyvaz. > > ------------------------------------------------------------------- > Prof. Eyvaz Isaev, > Department of Physics, Chemistry, and Biology (IFM), Linkoping University, > Sweden > Theoretical Physics Department, Moscow State Institute of Steel & Alloys, > Russia, > isaev at ifm.liu.se, eyvaz_isaev at yahoo.com > > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100527/de002dc7/attachment.htm
