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
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