>> >> 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> >> >
smime.p7s
Description: S/MIME cryptographic signature
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
