Hi Ron. Don’t know the answer to your question, but just be advised that the Quantum ESPRESSO Foundation (http://foundation.quantum-espresso.org <http://foundation.quantum-espresso.org/>) offers a service of “implementation on demand”. If you want a quote, please send a request to [email protected] <mailto:[email protected]>.
Of course, the above does not exclude that you prefer to work “the usual way” and choose to contact and collaborate with individual developers. Best regards, Stefano > On 15 Mar 2018, at 12:03, 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] <mailto:[email protected]> > office: 202-478-8937 <tel:(202)%20478-8937> > skype: ronaldcohen > https://twitter.com/recohen3 <https://twitter.com/recohen3> > https://www.linkedin.com/profile/view?id=163327727 > <https://www.linkedin.com/profile/view?id=163327727> > > > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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