Unfortunately, nobody is working on this and nobody knows who worked on this
Paolo On Thu, Mar 15, 2018 at 12:03 PM, Cohen, Ronald <[email protected]> wrote: > I am wondering the status of including stresses (and forces?) in applied > electric fields. I find the following code: > ! > ! Electric field contribution > ! > sigmael(:,:)=0.d0 > sigmaion(:,:)=0.d0 > !the following is for calculating the improper stress tensor > ! call stress_bp_efield (sigmael ) > ! call stress_ion_efield (sigmaion ) > > but the commented out routines do not exist. Also, the berrys_phase forces > contribution seems to include only the force on the ion core. Any comments > on this would be appreciated, especially the name of the person working on > this. > > Sincerely, > > Ron > > --- > Ronald Cohen > Geophysical Laboratory > Carnegie Institution > 5251 Broad Branch Rd., N.W. > Washington, D.C. 20015 > [email protected] > office: 202-478-8937 <(202)%20478-8937> > skype: ronaldcohen > https://twitter.com/recohen3 > https://www.linkedin.com/profile/view?id=163327727 > > > > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > -- 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
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