Dear Prof. Giannozzi, Thanks for your reply. Yes the coupling matrix elements do not depend on the broadening. I agree.
My problem is this: how to extract the raw electron-phonon matrix elements from Quantum Espresso? I understand how to obtain related quantities such as phonon line widths and Eliashberg function. But I would like to obtain the raw matrix elements. Is this possible and has anyone done it before? Thanks, Sridhar On Fri, Mar 14, 2014 at 3:33 PM, Paolo Giannozzi <paolo.giannozzi at uniud.it>wrote: > 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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140314/ad445345/attachment.html