Remember that the phases of wavefunctions computed at different k-vectors are uncorrelated and thus arbitrary
Paolo On Fri, Jun 17, 2016 at 11:25 PM, Alaska Subedi <[email protected]> wrote: > Dear Nicola, > > I was thinking of a way that does not involve wannierization at the moment > (although it would eventually lead to it...). > > I just found out that bands.x calculates similar matrix element between the > valence and conduction bands. I will utilize subroutines from that code. > > Best, > Alaska > > On Jun 17, 2016 10:19 PM, "Marzari Nicola" <[email protected]> wrote: >> >> Sure - Wannier90, EPW, etc... >> >> Sent from a tiny keyboard... Contact info: >> http://theossrv1.epfl.ch/Main/Contact >> >> > On 17 Jun 2016, at 18:27, Alaska Subedi <[email protected]> wrote: >> > >> > I'm interested in the electronic velocities because I want to >> > calculate the (anisotropic) transport Eliashberg functions. If anyone >> > has done such calculations using QE, I would appreciate references to >> > such work. >> > >> > Thanks, >> > Alaska >> > >> > >> > >> >> On Fri, Jun 17, 2016 at 8:22 PM, Alaska Subedi <[email protected]> >> >> wrote: >> >> Hi all, >> >> >> >> Is there a tool to calculate the electronic velocities [v = (dE/dkx, >> >> dE/dky, dE/kz), where E is the energy]? >> >> >> >> Thanks, >> >> Alaska >> > _______________________________________________ >> > Pw_forum mailing list >> > [email protected] >> > http://pwscf.org/mailman/listinfo/pw_forum >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
