On Fri, 2014-03-14 at 09:32 +0530, Sridhar Sadasivam wrote: > Prof. Giannozzi, you had answered that they contain the > electron-phonon coupling matrix elements [...] could you > please explain the format of these files?
no: I don't want to hear about electron-phonon coefficients > I also don't understand why the coupling matrix elements would depend > on broadening values. why do you think that coupling matrix elements depend upon the broadening? they don't. Where do you see it? P. > For example, if you look at the definition of the electron-phonon > coefficients in the link below (see Equation 1 in Appendix), it does > not have any delta functions. Only the line width (and the Eliashberg > function, lambda) have delta functions in them and hence would depend > on the choice of broadening parameter. > > > http://www.quantum-espresso.org/wp-content/uploads/Doc/ph_user_guide.pdf > > > > I am very confused and I would really appreciate any sort of help. > Thanks a lot, > Sridhar > Purdue University > > > On Thu, Mar 13, 2014 at 10:53 AM, Sridhar Sadasivam > <sridhu88 at gmail.com> wrote: > Hello, > > > I have a question about electron-phonon coupling in Quantum > Espresso. When ph.x is run with electron-phonon coupling (la2F > = .true.), it outputs a series of files a2Fq2r.* (* = 51-60). > Could someone explain what exactly is contained in these > files? Do they contain the electron-phonon coupling matrix > elements? > > > I did not find much information on this in the documentation. > Thank you! > Sridhar > Purdue University > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222